#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qyr s ASN 18 N 0.00 2.90 -0.08 2.61 -0.87 -1.26 -4.54 114.94 113.69 1qyr s ASN 18 Ca 0.00 -0.55 -0.19 0.00 -1.57 0.00 0.00 52.86 50.55 1qyr s ASN 18 Cb 0.00 -1.33 -0.04 0.00 -0.02 0.00 0.00 41.25 39.86 1qyr s ASN 18 CO 0.00 0.03 0.52 -0.36 -2.57 0.00 0.00 177.10 174.72 1qyr s PHE 19 N 1.04 3.57 0.09 2.20 0.08 0.76 -4.76 117.98 120.97 1qyr s PHE 19 Ca -0.03 1.00 -0.31 0.00 0.12 0.00 0.00 56.93 57.71 1qyr s PHE 19 Cb -0.15 -2.57 -0.09 0.00 -0.57 0.00 0.00 43.02 39.64 1qyr s PHE 19 CO -0.05 0.24 1.73 -1.17 -0.10 0.00 0.00 175.22 175.86 1qyr s LEU 20 N 0.34 4.38 -0.00 -0.37 2.96 -1.26 0.31 118.68 125.03 1qyr s LEU 20 Ca 0.28 2.60 0.02 0.00 -0.22 0.00 0.00 54.13 56.81 1qyr s LEU 20 Cb -0.16 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.93 1qyr s LEU 20 CO 0.13 -0.94 0.06 -0.46 -1.32 0.00 0.00 176.35 173.82 1qyr n ASN 21 N 5.62 3.50 -4.65 3.68 0.23 0.20 -4.77 115.26 119.06 1qyr n ASN 21 Ca 0.17 -0.12 -0.43 0.00 -0.53 0.00 0.00 54.58 53.66 1qyr n ASN 21 Cb 0.39 1.08 -0.02 0.00 -2.08 0.00 0.00 39.78 39.15 1qyr n ASN 21 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1qyr s ASP 22 N -2.03 7.00 0.21 0.53 -1.08 -1.07 -4.93 116.67 115.31 1qyr s ASP 22 Ca -0.00 1.20 -0.10 0.00 -0.52 0.00 0.00 52.55 53.13 1qyr s ASP 22 Cb 0.02 -2.54 0.17 0.00 -1.46 0.00 0.00 42.92 39.11 1qyr s ASP 22 CO 0.09 -0.76 1.88 -0.61 0.52 0.00 0.00 175.17 176.29 1qyr h GLN 23 N 7.77 0.97 -0.53 4.34 5.75 -1.96 -0.26 115.11 131.19 1qyr h GLN 23 Ca -0.20 -0.06 0.03 0.00 -0.15 0.00 0.00 58.65 58.27 1qyr h GLN 23 Cb 1.06 -0.22 -0.04 0.00 1.07 0.00 0.00 27.48 29.36 1qyr h GLN 23 CO 1.00 0.64 0.32 0.35 -2.65 0.00 0.00 178.83 178.48 1qyr h PHE 24 N 0.99 0.59 -0.32 3.99 3.04 -1.99 -0.06 116.94 123.18 1qyr h PHE 24 Ca 0.28 0.02 -0.08 0.00 3.98 0.00 0.00 57.97 62.17 1qyr h PHE 24 Cb -0.08 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.23 1qyr h PHE 24 CO -0.02 0.33 -0.12 0.28 -2.02 0.00 0.00 178.31 176.75 1qyr h VAL 25 N 0.62 1.29 -0.18 1.41 2.07 -1.82 -1.55 116.25 118.09 1qyr h VAL 25 Ca 0.22 -1.21 0.05 0.00 0.82 0.00 0.00 66.70 66.57 1qyr h VAL 25 Cb 0.03 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 1qyr h VAL 25 CO -0.10 0.39 -0.13 0.40 0.02 0.00 0.00 177.57 178.15 1qyr h ILE 26 N 0.41 0.63 -0.61 4.57 2.04 -0.90 -0.30 117.51 123.35 1qyr h ILE 26 Ca 0.07 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.95 1qyr h ILE 26 Cb 0.64 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 1qyr h ILE 26 CO 0.04 0.00 0.39 0.44 0.00 0.00 0.00 178.15 179.02 1qyr h ASP 27 N -0.13 0.65 -0.59 1.72 3.32 -0.87 -0.08 116.42 120.45 1qyr h ASP 27 Ca 0.11 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 1qyr h ASP 27 Cb 0.29 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1qyr h ASP 27 CO -0.26 0.46 0.18 0.28 -1.72 0.00 0.00 179.24 178.18 1qyr h SER 28 N 0.78 0.86 -0.62 6.45 0.02 -0.93 -0.22 113.55 119.90 1qyr h SER 28 Ca 0.23 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1qyr h SER 28 Cb -0.03 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.25 1qyr h SER 28 CO -0.08 0.85 0.36 0.40 -1.14 0.00 0.00 176.83 177.22 1qyr h ILE 29 N 0.84 1.19 -0.39 3.27 2.04 -0.50 -1.16 117.51 122.80 1qyr h ILE 29 Ca 0.19 -0.44 -0.14 0.00 1.00 0.00 0.00 64.86 65.47 1qyr h ILE 29 Cb 0.29 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1qyr h ILE 29 CO -0.00 0.20 -0.32 0.58 0.00 0.00 0.00 178.15 178.60 1qyr h VAL 30 N 0.84 1.28 -0.64 1.67 2.07 -0.53 0.38 116.25 121.31 1qyr h VAL 30 Ca 0.22 -1.48 -0.09 0.00 0.82 0.00 0.00 66.70 66.17 1qyr h VAL 30 Cb 0.00 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1qyr h VAL 30 CO -0.04 0.50 0.06 0.28 0.02 0.00 0.00 177.57 178.38 1qyr h SER 31 N 0.73 1.07 -0.49 0.57 0.02 -0.90 0.09 113.55 114.63 1qyr h SER 31 Ca 0.08 -0.28 -0.05 0.00 -0.84 0.00 0.00 61.79 60.70 1qyr h SER 31 Cb 0.88 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 1qyr h SER 31 CO 0.08 1.08 0.11 0.00 -1.14 0.00 0.00 176.83 176.96 1qyr h ALA 32 N 1.03 0.64 -0.01 3.77 0.00 -0.85 -3.13 119.26 120.72 1qyr h ALA 32 Ca 0.19 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1qyr h ALA 32 Cb 0.50 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1qyr h ALA 32 CO 0.02 0.35 0.01 0.82 0.00 0.00 0.00 179.25 180.44 1qyr h ILE 33 N 0.67 1.13 -5.79 0.00 2.04 -0.71 -3.48 117.51 111.37 1qyr h ILE 33 Ca 0.15 -0.39 -0.31 0.00 1.00 0.00 0.00 64.86 65.31 1qyr h ILE 33 Cb 0.35 1.37 0.13 0.00 -0.74 0.00 0.00 36.82 37.93 1qyr h ILE 33 CO 0.00 0.10 -0.83 -3.20 0.00 0.00 0.00 178.15 174.23 1qyr n ASN 34 N -5.00 -6.19 -4.74 1.72 5.15 -0.00 -4.92 115.26 101.28 1qyr n ASN 34 Ca -0.07 -0.79 -0.41 0.00 -0.60 0.00 0.00 54.58 52.71 1qyr n ASN 34 Cb 0.10 -4.40 -0.02 0.00 -0.53 0.00 0.00 39.78 34.93 1qyr n ASN 34 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1qyr s PRO 35 N -4.93 4.30 -0.02 1.20 0.04 -1.26 -5.02 135.00 129.32 1qyr s PRO 35 Ca 0.42 2.23 0.05 0.00 0.04 0.00 0.00 61.00 63.75 1qyr s PRO 35 Cb -0.10 -3.13 -0.01 0.00 0.04 0.00 0.00 34.50 31.30 1qyr s PRO 35 CO 0.79 -0.36 -0.18 -0.65 0.04 0.00 0.00 177.00 176.64 1qyr s GLN 36 N -0.39 1.47 0.32 4.56 -1.52 -1.26 -4.94 119.66 117.90 1qyr s GLN 36 Ca 0.58 -0.63 -0.28 0.00 -1.95 0.00 0.00 55.36 53.08 1qyr s GLN 36 Cb -0.40 -1.41 -0.13 0.00 -0.22 0.00 0.00 33.01 30.85 1qyr s GLN 36 CO 0.43 0.37 1.19 1.63 -0.25 0.00 0.00 175.29 178.66 1qyr n LYS 37 N 2.69 1.84 0.00 2.91 5.02 -1.26 -1.66 118.16 127.70 1qyr n LYS 37 Ca -0.15 0.65 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 1qyr n LYS 37 Cb 0.54 -2.15 0.00 0.00 -0.02 0.00 0.00 35.03 33.39 1qyr n LYS 37 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qyr n GLY 38 N 0.95 2.76 3.82 0.72 0.00 -1.26 -5.07 105.19 107.12 1qyr n GLY 38 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1qyr n GLY 38 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qyr s GLN 39 N -0.31 4.23 -0.91 1.61 -0.21 -0.66 -5.01 119.66 118.40 1qyr s GLN 39 Ca 0.00 0.98 -0.18 0.00 0.02 0.00 0.00 55.36 56.18 1qyr s GLN 39 Cb 0.00 -2.51 0.15 0.00 1.00 0.00 0.00 33.01 31.65 1qyr s GLN 39 CO 0.00 0.17 1.04 0.00 -2.12 0.00 0.00 175.29 174.38 1qyr s ALA 40 N -1.89 3.54 0.16 6.09 0.00 -1.26 -4.93 121.76 123.48 1qyr s ALA 40 Ca 0.54 -2.91 -0.26 0.00 0.00 0.00 0.00 51.96 49.33 1qyr s ALA 40 Cb -0.13 -3.92 -0.08 0.00 0.00 0.00 0.00 23.12 18.99 1qyr s ALA 40 CO 0.18 -2.81 0.82 -1.64 0.00 0.00 0.00 175.76 172.30 1qyr s MET 41 N 2.07 4.62 -0.12 0.00 1.00 -1.26 -0.85 119.30 124.76 1qyr s MET 41 Ca 0.29 1.23 -0.04 0.00 0.00 0.00 0.00 55.69 57.17 1qyr s MET 41 Cb -0.06 -3.28 0.05 0.00 0.00 0.00 0.00 34.83 31.54 1qyr s MET 41 CO -0.09 0.51 0.07 0.08 0.00 0.00 0.00 175.02 175.59 1qyr s VAL 42 N -0.98 -0.04 -0.07 -6.03 1.01 -0.27 -2.16 120.40 111.86 1qyr s VAL 42 Ca 0.38 0.04 -0.15 0.00 0.00 0.00 0.00 61.98 62.24 1qyr s VAL 42 Cb -0.23 -0.45 -0.05 0.00 0.00 0.00 0.00 36.38 35.65 1qyr s VAL 42 CO 0.27 -0.09 0.39 -0.70 0.00 0.00 0.00 175.10 174.97 1qyr s GLU 43 N 2.13 4.08 -0.17 2.72 2.12 -0.10 -0.96 118.70 128.52 1qyr s GLU 43 Ca 0.03 0.33 -0.08 0.00 0.36 0.00 0.00 54.97 55.61 1qyr s GLU 43 Cb -0.15 -3.32 -0.04 0.00 0.26 0.00 0.00 34.13 30.88 1qyr s GLU 43 CO -0.07 0.45 0.10 0.42 -0.54 0.00 0.00 175.26 175.63 1qyr s ILE 44 N -0.29 5.18 -1.07 -3.70 1.01 0.11 -0.45 121.20 121.99 1qyr s ILE 44 Ca 0.22 0.10 -0.07 0.00 0.00 0.00 0.00 60.65 60.90 1qyr s ILE 44 Cb -0.15 -3.32 -0.06 0.00 0.01 0.00 0.00 42.46 38.94 1qyr s ILE 44 CO 0.10 0.50 0.91 0.61 0.00 0.00 0.00 174.94 177.06 1qyr n GLY 45 N 3.04 -1.10 0.26 6.18 0.00 -0.59 -3.68 105.19 109.30 1qyr n GLY 45 Ca -0.17 0.54 0.09 0.00 0.00 0.00 0.00 46.02 46.48 1qyr n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qyr h PRO 46 N -1.23 0.00 0.00 1.61 0.13 -1.81 -3.40 132.00 127.30 1qyr h PRO 46 Ca -0.62 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1qyr h PRO 46 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1qyr h PRO 46 CO 0.45 0.05 0.00 0.41 -0.23 0.00 0.00 178.00 178.68 1qyr n GLY 47 N -1.33 3.62 1.33 1.56 0.00 -1.26 -0.96 105.19 108.15 1qyr n GLY 47 Ca -0.03 0.23 0.07 0.00 0.00 0.00 0.00 46.02 46.28 1qyr n GLY 47 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qyr n LEU 48 N 0.00 3.88 -0.83 0.99 4.77 -1.26 -4.86 117.00 119.70 1qyr n LEU 48 Ca 0.00 -1.96 -0.09 0.00 -0.03 0.00 0.00 56.01 53.93 1qyr n LEU 48 Cb 0.00 -0.53 -0.03 0.00 -2.33 0.00 0.00 43.42 40.53 1qyr n LEU 48 CO 0.00 0.61 -0.10 0.00 -1.33 0.00 0.00 177.39 176.57 1qyr n ALA 49 N 0.72 -0.19 -0.27 -1.18 0.00 -0.13 -4.93 120.51 114.54 1qyr n ALA 49 Ca 0.20 0.12 0.06 0.00 0.00 0.00 0.00 53.44 53.82 1qyr n ALA 49 Cb 0.76 -1.21 0.20 0.00 0.00 0.00 0.00 19.45 19.20 1qyr n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qyr h ALA 50 N 0.16 1.12 0.02 0.00 0.00 -1.86 -1.71 119.26 116.98 1qyr h ALA 50 Ca -0.20 0.11 -0.36 0.00 0.00 0.00 0.00 54.91 54.46 1qyr h ALA 50 Cb 0.80 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 1qyr h ALA 50 CO 0.27 -0.19 -2.20 1.28 0.00 0.00 0.00 179.25 178.41 1qyr n LEU 51 N -4.97 1.48 -0.22 0.00 4.77 -1.26 -4.56 117.00 112.23 1qyr n LEU 51 Ca 0.15 0.09 0.01 0.00 -0.03 0.00 0.00 56.01 56.22 1qyr n LEU 51 Cb 0.43 -0.25 0.12 0.00 -2.33 0.00 0.00 43.42 41.39 1qyr n LEU 51 CO 0.19 0.66 1.01 0.74 -1.33 0.00 0.00 177.39 178.66 1qyr h THR 52 N 0.01 0.78 0.73 -5.08 2.02 -1.79 -1.36 112.91 108.22 1qyr h THR 52 Ca -0.48 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 66.51 1qyr h THR 52 Cb 2.07 0.29 0.01 0.00 -1.74 0.00 0.00 68.15 68.77 1qyr h THR 52 CO 0.02 0.08 -0.35 -0.08 0.37 0.00 0.00 175.52 175.56 1qyr h GLU 53 N 0.45 -0.94 -0.16 6.66 4.81 -1.56 0.28 114.58 124.12 1qyr h GLU 53 Ca 0.32 0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.54 1qyr h GLU 53 Cb 0.39 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1qyr h GLU 53 CO -0.30 -0.60 -0.23 -1.00 -0.73 0.00 0.00 179.01 176.15 1qyr h PRO 54 N -1.17 0.29 -0.23 0.92 0.13 -1.79 0.23 132.00 130.39 1qyr h PRO 54 Ca -0.10 -0.09 -0.04 0.00 -0.87 0.00 0.00 66.00 64.90 1qyr h PRO 54 Cb 0.77 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 1qyr h PRO 54 CO 0.16 0.50 -0.03 0.28 -0.23 0.00 0.00 178.00 178.69 1qyr h VAL 55 N 0.26 1.27 -0.60 1.56 2.07 -1.26 -3.21 116.25 116.34 1qyr h VAL 55 Ca 0.04 -0.99 -0.04 0.00 0.82 0.00 0.00 66.70 66.54 1qyr h VAL 55 Cb 0.55 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 1qyr h VAL 55 CO 0.04 0.30 0.23 1.23 0.02 0.00 0.00 177.57 179.39 1qyr h GLY 56 N 0.17 0.95 1.76 2.17 0.00 0.14 -2.24 103.07 106.01 1qyr h GLY 56 Ca 0.06 -0.49 0.01 0.00 0.00 0.00 0.00 47.33 46.91 1qyr h GLY 56 CO 0.02 0.46 0.11 0.83 0.00 0.00 0.00 176.54 177.96 1qyr h GLU 57 N 0.87 0.00 -0.02 4.80 5.08 -0.56 -0.74 114.58 124.01 1qyr h GLU 57 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1qyr h GLU 57 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1qyr h GLU 57 CO -0.02 0.00 -0.32 0.54 -1.00 0.00 0.00 179.01 178.21 1qyr n ARG 58 N -3.23 1.31 -4.58 2.33 1.74 -0.85 -4.97 116.66 108.42 1qyr n ARG 58 Ca -0.02 -1.01 -0.26 0.00 -0.77 0.00 0.00 57.85 55.79 1qyr n ARG 58 Cb 0.19 -1.48 -0.11 0.00 -1.02 0.00 0.00 32.46 30.04 1qyr n ARG 58 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1qyr s LEU 59 N -2.38 2.64 -0.04 0.55 1.43 -0.29 -4.29 118.68 116.30 1qyr s LEU 59 Ca 0.23 -1.39 0.16 0.00 -1.03 0.00 0.00 54.13 52.10 1qyr s LEU 59 Cb 0.19 -0.73 -0.25 0.00 0.03 0.00 0.00 46.19 45.43 1qyr s LEU 59 CO 0.50 -0.52 0.32 0.47 0.23 0.00 0.00 176.35 177.35 1qyr n ASP 60 N -0.91 1.25 -3.72 2.29 10.43 -1.26 -4.94 116.55 119.70 1qyr n ASP 60 Ca -0.05 0.00 -0.13 0.00 2.57 0.00 0.00 54.79 57.18 1qyr n ASP 60 Cb 0.67 1.63 -0.10 0.00 1.84 0.00 0.00 41.12 45.16 1qyr n ASP 60 CO 0.00 0.00 0.00 -1.58 -1.07 0.00 0.00 177.20 174.55 1qyr s GLN 61 N -3.03 0.53 -0.08 -1.24 -0.44 -1.26 -4.64 119.66 109.50 1qyr s GLN 61 Ca -0.06 0.65 -0.18 0.00 -2.50 0.00 0.00 55.36 53.26 1qyr s GLN 61 Cb 0.10 0.25 0.04 0.00 -1.64 0.00 0.00 33.01 31.76 1qyr s GLN 61 CO 0.67 -0.07 0.44 -1.17 0.50 0.00 0.00 175.29 175.66 1qyr s LEU 62 N 0.30 0.34 -0.06 3.68 2.96 -0.71 -4.78 118.68 120.40 1qyr s LEU 62 Ca -0.00 0.51 0.03 0.00 -0.22 0.00 0.00 54.13 54.45 1qyr s LEU 62 Cb -0.03 1.63 -0.02 0.00 0.50 0.00 0.00 46.19 48.26 1qyr s LEU 62 CO -0.00 -0.38 -0.14 -0.89 -1.32 0.00 0.00 176.35 173.62 1qyr s THR 63 N -0.74 3.06 0.08 3.68 2.01 -0.92 -1.70 115.64 121.11 1qyr s THR 63 Ca -0.08 -0.72 0.05 0.00 0.31 0.00 0.00 61.69 61.25 1qyr s THR 63 Cb -0.03 -2.21 -0.03 0.00 0.01 0.00 0.00 72.50 70.24 1qyr s THR 63 CO 0.04 0.58 -0.13 0.68 -0.69 0.00 0.00 174.62 175.10 1qyr s VAL 64 N -0.61 1.08 -0.27 3.82 -7.23 -0.23 -0.93 120.40 116.03 1qyr s VAL 64 Ca 0.09 -1.41 0.02 0.00 -1.81 0.00 0.00 61.98 58.88 1qyr s VAL 64 Cb -0.11 -1.16 0.07 0.00 0.56 0.00 0.00 36.38 35.74 1qyr s VAL 64 CO 0.01 -0.32 -0.05 -0.63 -0.31 0.00 0.00 175.10 173.80 1qyr s ILE 65 N -1.59 1.92 -0.24 -0.62 1.01 0.40 -1.04 121.20 121.03 1qyr s ILE 65 Ca 0.00 -1.63 -0.02 0.00 0.00 0.00 0.00 60.65 59.01 1qyr s ILE 65 Cb -0.08 -2.17 0.08 0.00 0.01 0.00 0.00 42.46 40.30 1qyr s ILE 65 CO 0.02 -0.20 0.05 -0.70 0.00 0.00 0.00 174.94 174.12 1qyr s GLU 66 N 1.18 0.72 0.22 2.79 2.56 -0.51 -1.54 118.70 124.13 1qyr s GLU 66 Ca -0.03 -0.68 -0.05 0.00 0.00 0.00 0.00 54.97 54.21 1qyr s GLU 66 Cb -0.19 -2.05 0.21 0.00 2.00 0.00 0.00 34.13 34.10 1qyr s GLU 66 CO -0.07 -0.77 1.72 1.25 -0.56 0.00 0.00 175.26 176.83 1qyr h LEU 67 N 8.18 0.92 -8.87 2.70 5.85 -1.80 -3.33 115.31 118.96 1qyr h LEU 67 Ca -0.16 -0.23 -0.57 0.00 0.84 0.00 0.00 57.88 57.76 1qyr h LEU 67 Cb 1.08 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 1qyr h LEU 67 CO 0.39 0.95 1.16 -0.62 -0.34 0.00 0.00 178.44 179.99 1qyr s ASP 68 N -6.58 6.18 0.22 1.25 -1.08 -1.26 -4.76 116.67 110.63 1qyr s ASP 68 Ca -0.11 1.17 -0.09 0.00 -0.52 0.00 0.00 52.55 52.99 1qyr s ASP 68 Cb 0.14 -2.53 0.18 0.00 -1.46 0.00 0.00 42.92 39.25 1qyr s ASP 68 CO 0.83 -1.50 1.88 0.03 0.52 0.00 0.00 175.17 176.93 1qyr h ARG 69 N 11.53 1.01 -0.60 4.34 -0.00 -1.97 0.58 114.38 129.28 1qyr h ARG 69 Ca -0.31 -0.06 -0.05 0.00 -0.50 0.00 0.00 59.98 59.06 1qyr h ARG 69 Cb 1.14 -0.23 -0.02 0.00 0.00 0.00 0.00 29.97 30.85 1qyr h ARG 69 CO 1.05 0.67 0.17 -0.44 0.00 0.00 0.00 179.97 181.42 1qyr h ASP 70 N 1.04 0.88 -0.10 7.04 3.32 -1.97 -0.63 116.42 126.00 1qyr h ASP 70 Ca 0.29 -0.22 -0.15 0.00 0.02 0.00 0.00 57.03 56.97 1qyr h ASP 70 Cb -0.09 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 1qyr h ASP 70 CO -0.07 0.87 -0.47 -0.07 -1.72 0.00 0.00 179.24 177.77 1qyr h LEU 71 N 0.85 0.72 -0.10 1.55 3.38 -1.74 -2.24 115.31 117.73 1qyr h LEU 71 Ca 0.19 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1qyr h LEU 71 Cb 0.32 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1qyr h LEU 71 CO -0.00 1.08 0.05 0.00 0.09 0.00 0.00 178.44 179.66 1qyr h ALA 72 N 0.95 0.12 -0.99 1.53 0.00 -0.81 -2.37 119.26 117.69 1qyr h ALA 72 Ca 0.03 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1qyr h ALA 72 Cb 1.02 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 1qyr h ALA 72 CO 0.10 -0.35 0.65 0.00 0.00 0.00 0.00 179.25 179.65 1qyr h ALA 73 N 0.97 1.32 -0.90 0.00 0.00 -0.95 -1.74 119.26 117.95 1qyr h ALA 73 Ca 0.03 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1qyr h ALA 73 Cb 0.06 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 17.45 1qyr h ALA 73 CO -0.01 0.53 0.58 0.00 0.00 0.00 0.00 179.25 180.36 1qyr h ARG 74 N 1.25 1.08 -0.19 0.00 3.08 -1.25 -2.00 114.38 116.35 1qyr h ARG 74 Ca 0.40 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.31 1qyr h ARG 74 Cb 0.01 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 29.81 1qyr h ARG 74 CO -0.13 0.72 -0.14 -0.07 -1.07 0.00 0.00 179.97 179.28 1qyr h LEU 75 N 1.11 0.45 -0.93 3.04 3.38 -0.95 -2.59 115.31 118.83 1qyr h LEU 75 Ca 0.36 -0.45 0.07 0.00 0.09 0.00 0.00 57.88 57.95 1qyr h LEU 75 Cb 0.03 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.59 1qyr h LEU 75 CO -0.13 0.80 0.58 -0.61 0.09 0.00 0.00 178.44 179.18 1qyr h GLN 76 N 0.09 1.02 -0.14 1.13 5.75 -1.10 -2.31 115.11 119.55 1qyr h GLN 76 Ca 0.03 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1qyr h GLN 76 Cb 0.66 -0.23 0.00 0.00 1.07 0.00 0.00 27.48 28.98 1qyr h GLN 76 CO 0.04 0.67 0.00 0.25 -2.65 0.00 0.00 178.83 177.14 1qyr n THR 77 N -4.58 0.17 -1.77 2.39 -2.24 -0.77 -4.35 114.28 103.13 1qyr n THR 77 Ca 0.14 -0.35 -0.42 0.00 -2.27 0.00 0.00 64.05 61.15 1qyr n THR 77 Cb 0.20 0.45 -0.03 0.00 -2.10 0.00 0.00 70.33 68.85 1qyr n THR 77 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1qyr s HIS 78 N -1.83 2.18 0.18 4.78 5.65 -0.87 -4.87 115.29 120.51 1qyr s HIS 78 Ca 0.34 0.05 0.29 0.00 0.25 0.00 0.00 55.06 55.99 1qyr s HIS 78 Cb 0.19 -4.13 1.24 0.00 -1.18 0.00 0.00 32.58 28.70 1qyr s HIS 78 CO 0.28 -4.63 1.95 -1.00 -0.65 0.00 0.00 174.74 170.69 1qyr h PRO 79 N 8.62 0.00 0.00 2.88 0.13 -1.89 0.16 132.00 141.90 1qyr h PRO 79 Ca -0.45 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.39 1qyr h PRO 79 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 1qyr h PRO 79 CO 0.94 0.11 -2.07 1.19 -0.23 0.00 0.00 178.00 177.94 1qyr n PHE 80 N -3.28 0.00 0.13 1.56 3.01 -1.26 -4.59 117.46 113.02 1qyr n PHE 80 Ca -0.00 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.22 1qyr n PHE 80 Cb 0.34 -0.71 -0.15 0.00 -0.01 0.00 0.00 39.48 38.94 1qyr n PHE 80 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1qyr h LEU 81 N -0.18 0.85 -0.65 4.37 5.85 -1.90 -3.39 115.31 120.27 1qyr h LEU 81 Ca -0.44 -0.90 0.13 0.00 0.84 0.00 0.00 57.88 57.52 1qyr h LEU 81 Cb 1.59 -0.27 -0.12 0.00 0.37 0.00 0.00 40.66 42.23 1qyr h LEU 81 CO -0.12 1.68 -0.15 1.23 -0.34 0.00 0.00 178.44 180.73 1qyr h GLY 82 N 0.15 0.48 2.00 3.75 0.00 -0.72 0.43 103.07 109.17 1qyr h GLY 82 Ca -0.24 0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1qyr h GLY 82 CO 0.26 -0.25 0.00 -2.55 0.00 0.00 0.00 176.54 174.01 1qyr h PRO 83 N 0.00 0.00 0.00 4.80 0.11 -1.75 -2.59 132.00 132.57 1qyr h PRO 83 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 1qyr h PRO 83 Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.59 1qyr h PRO 83 CO -0.66 0.00 -0.62 0.87 -0.21 0.00 0.00 178.00 177.38 1qyr h LYS 84 N 0.00 0.00 -5.41 1.05 1.57 -1.12 -3.48 116.57 109.19 1qyr h LYS 84 Ca 0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 1qyr h LYS 84 Cb 0.16 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.36 1qyr h LYS 84 CO 0.00 0.00 -0.34 -0.51 -0.57 0.00 0.00 179.45 178.03 1qyr s LEU 85 N -4.58 4.21 -0.23 2.94 1.43 -0.98 -1.74 118.68 119.73 1qyr s LEU 85 Ca 0.05 0.43 -0.10 0.00 -1.03 0.00 0.00 54.13 53.49 1qyr s LEU 85 Cb 0.12 -2.34 -0.05 0.00 0.03 0.00 0.00 46.19 43.95 1qyr s LEU 85 CO 0.72 0.07 0.14 -0.89 0.23 0.00 0.00 176.35 176.62 1qyr s THR 86 N 0.70 5.16 -0.17 5.49 2.01 -0.69 -5.01 115.64 123.13 1qyr s THR 86 Ca 0.15 0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.27 1qyr s THR 86 Cb -0.13 -3.40 0.02 0.00 0.01 0.00 0.00 72.50 69.00 1qyr s THR 86 CO 0.04 0.36 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.51 1qyr s ILE 87 N 1.06 1.96 -0.34 1.82 1.01 -1.26 -1.07 121.20 124.37 1qyr s ILE 87 Ca 0.07 -0.88 -0.13 0.00 0.00 0.00 0.00 60.65 59.71 1qyr s ILE 87 Cb -0.14 -1.78 -0.01 0.00 0.01 0.00 0.00 42.46 40.54 1qyr s ILE 87 CO 0.04 0.52 0.23 -0.31 0.00 0.00 0.00 174.94 175.43 1qyr s TYR 88 N 1.30 3.22 -1.36 3.97 2.02 -0.21 -5.00 117.35 121.30 1qyr s TYR 88 Ca 0.04 -0.27 -0.09 0.00 -0.37 0.00 0.00 57.07 56.38 1qyr s TYR 88 Cb -0.13 -2.47 0.10 0.00 -0.40 0.00 0.00 41.96 39.07 1qyr s TYR 88 CO -0.12 -0.38 2.18 1.04 -1.57 0.00 0.00 175.55 176.70 1qyr n GLN 89 N 5.09 3.71 -4.21 -0.62 6.02 -1.26 -1.42 117.38 124.69 1qyr n GLN 89 Ca -0.13 -3.19 -0.12 0.00 -0.01 0.00 0.00 57.00 53.55 1qyr n GLN 89 Cb 0.49 -2.91 -0.10 0.00 1.02 0.00 0.00 30.24 28.74 1qyr n GLN 89 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1qyr s GLN 90 N 0.76 0.94 -0.18 -1.09 -0.21 -1.25 -4.75 119.66 113.87 1qyr s GLN 90 Ca 0.48 -1.38 -0.29 0.00 0.02 0.00 0.00 55.36 54.18 1qyr s GLN 90 Cb 0.13 -0.40 -0.02 0.00 1.00 0.00 0.00 33.01 33.72 1qyr s GLN 90 CO -0.04 0.03 1.40 0.34 -2.12 0.00 0.00 175.29 174.89 1qyr s ASP 91 N -3.08 6.74 0.56 5.90 3.68 -1.26 -3.44 116.67 125.77 1qyr s ASP 91 Ca 0.14 1.67 0.37 0.00 2.13 0.00 0.00 52.55 56.86 1qyr s ASP 91 Cb 0.04 -2.54 2.00 0.00 -1.45 0.00 0.00 42.92 40.97 1qyr s ASP 91 CO -0.02 -0.94 2.14 0.00 0.13 0.00 0.00 175.17 176.48 1qyr h ALA 92 N 9.08 1.00 0.00 3.66 0.00 -1.95 -1.64 119.26 129.41 1qyr h ALA 92 Ca -0.30 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 1qyr h ALA 92 Cb 1.12 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1qyr h ALA 92 CO 0.99 0.00 -0.28 0.52 0.00 0.00 0.00 179.25 180.48 1qyr h MET 93 N 0.00 0.00 -0.03 0.00 2.07 -1.95 -3.09 114.93 111.93 1qyr h MET 93 Ca 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 1qyr h MET 93 Cb 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.77 1qyr h MET 93 CO 0.00 0.28 0.00 0.25 1.07 0.00 0.00 176.91 178.51 1qyr n THR 94 N -3.60 0.07 -2.05 2.22 -2.24 -0.67 -4.96 114.28 103.05 1qyr n THR 94 Ca -0.01 -0.54 -0.41 0.00 -2.27 0.00 0.00 64.05 60.82 1qyr n THR 94 Cb 0.41 1.14 -0.02 0.00 -2.10 0.00 0.00 70.33 69.75 1qyr n THR 94 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1qyr s PHE 95 N -0.76 3.05 -1.02 4.78 5.36 -0.89 -4.95 117.98 123.54 1qyr s PHE 95 Ca 0.11 1.08 -0.18 0.00 -0.96 0.00 0.00 56.93 56.98 1qyr s PHE 95 Cb 0.08 -3.78 0.12 0.00 -0.34 0.00 0.00 43.02 39.10 1qyr s PHE 95 CO 0.11 -2.50 1.28 1.21 -1.46 0.00 0.00 175.22 173.86 1qyr s ASN 96 N 0.30 6.71 0.31 6.13 3.84 -1.26 -4.82 114.94 126.15 1qyr s ASN 96 Ca 0.58 -2.17 0.06 0.00 0.21 0.00 0.00 52.86 51.54 1qyr s ASN 96 Cb -0.41 -2.44 0.52 0.00 -0.55 0.00 0.00 41.25 38.37 1qyr s ASN 96 CO 0.43 -1.07 1.76 -0.26 -2.79 0.00 0.00 177.10 175.17 1qyr h PHE 97 N 8.56 0.37 -0.67 0.43 -1.00 -1.94 -2.50 116.94 120.19 1qyr h PHE 97 Ca 0.21 -0.08 0.03 0.00 2.81 0.00 0.00 57.97 60.95 1qyr h PHE 97 Cb 0.98 -0.09 -0.04 0.00 3.61 0.00 0.00 35.95 40.41 1qyr h PHE 97 CO 1.19 0.59 0.42 0.78 -1.61 0.00 0.00 178.31 179.67 1qyr h GLY 98 N 1.03 0.97 1.63 -1.45 0.00 -1.90 -0.98 103.07 102.37 1qyr h GLY 98 Ca 0.04 -0.31 -0.12 0.00 0.00 0.00 0.00 47.33 46.94 1qyr h GLY 98 CO 0.05 0.26 -0.39 1.05 0.00 0.00 0.00 176.54 177.51 1qyr h GLU 99 N 0.82 0.41 -0.33 4.80 4.11 -1.91 -2.24 114.58 120.23 1qyr h GLU 99 Ca 0.27 -0.20 -0.03 0.00 0.07 0.00 0.00 59.36 59.48 1qyr h GLU 99 Cb 0.02 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1qyr h GLU 99 CO -0.11 0.74 0.10 1.25 0.07 0.00 0.00 179.01 181.07 1qyr h LEU 100 N 0.35 0.49 -0.51 3.06 5.85 -0.98 -0.05 115.31 123.51 1qyr h LEU 100 Ca 0.03 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1qyr h LEU 100 Cb 0.84 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 1qyr h LEU 100 CO 0.07 0.56 0.34 0.00 -0.34 0.00 0.00 178.44 179.07 1qyr h ALA 101 N 0.94 0.65 -0.58 1.25 0.00 -1.13 -0.75 119.26 119.65 1qyr h ALA 101 Ca 0.11 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1qyr h ALA 101 Cb 0.25 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1qyr h ALA 101 CO -0.00 0.10 0.07 0.93 0.00 0.00 0.00 179.25 180.35 1qyr h GLU 102 N 0.70 0.95 0.28 0.00 5.08 -1.23 -0.21 114.58 120.15 1qyr h GLU 102 Ca 0.19 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1qyr h GLU 102 Cb -0.08 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 1qyr h GLU 102 CO -0.04 0.89 -0.15 -0.22 -1.00 0.00 0.00 179.01 178.49 1qyr h LYS 103 N 0.89 -0.39 0.00 2.33 3.11 -0.68 -2.90 116.57 118.93 1qyr h LYS 103 Ca 0.18 0.03 0.00 0.00 -2.81 0.00 0.00 60.65 58.04 1qyr h LYS 103 Cb 0.42 0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.74 1qyr h LYS 103 CO 0.01 -0.26 0.00 -1.33 -2.81 0.00 0.00 179.45 175.06 1qyr n MET 104 N -5.27 0.19 -2.10 1.90 2.81 -0.31 -4.91 117.12 109.43 1qyr n MET 104 Ca -0.10 0.35 -0.13 0.00 -1.81 0.00 0.00 57.70 56.01 1qyr n MET 104 Cb 0.19 -1.82 -0.01 0.00 -0.71 0.00 0.00 33.22 30.87 1qyr n MET 104 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1qyr n GLY 105 N 0.35 0.09 3.50 3.03 0.00 -0.13 -5.00 105.19 107.02 1qyr n GLY 105 Ca 0.03 -0.36 -0.17 0.00 0.00 0.00 0.00 46.02 45.53 1qyr n GLY 105 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1qyr s GLN 106 N -4.39 1.11 0.70 1.61 -2.07 -0.97 -5.04 119.66 110.61 1qyr s GLN 106 Ca 0.00 0.09 -0.15 0.00 -1.82 0.00 0.00 55.36 53.47 1qyr s GLN 106 Cb 0.00 0.52 0.02 0.00 -1.09 0.00 0.00 33.01 32.46 1qyr s GLN 106 CO 0.00 -0.38 1.18 -1.25 -1.32 0.00 0.00 175.29 173.51 1qyr s PRO 107 N -1.80 2.40 -0.11 9.60 0.04 -1.26 -4.53 135.00 139.34 1qyr s PRO 107 Ca -0.08 1.66 -0.06 0.00 0.04 0.00 0.00 61.00 62.55 1qyr s PRO 107 Cb -0.00 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 1qyr s PRO 107 CO 0.05 -1.61 0.12 -0.51 0.04 0.00 0.00 177.00 175.08 1qyr s LEU 108 N -4.98 4.28 -0.52 -3.56 1.43 0.43 -4.47 118.68 111.29 1qyr s LEU 108 Ca 0.72 0.42 -0.18 0.00 -1.03 0.00 0.00 54.13 54.07 1qyr s LEU 108 Cb -0.27 -2.05 0.08 0.00 0.03 0.00 0.00 46.19 43.98 1qyr s LEU 108 CO 0.43 0.40 0.56 -0.13 0.23 0.00 0.00 176.35 177.84 1qyr s ARG 109 N -1.04 3.05 0.04 1.70 0.52 -0.03 -0.53 118.95 122.65 1qyr s ARG 109 Ca 0.15 -1.20 -0.15 0.00 -0.52 0.00 0.00 55.73 54.01 1qyr s ARG 109 Cb -0.12 -4.17 -0.06 0.00 0.52 0.00 0.00 34.95 31.13 1qyr s ARG 109 CO 0.04 -1.24 0.45 0.08 0.02 0.00 0.00 175.30 174.65 1qyr s VAL 110 N 2.24 4.98 0.21 3.52 1.01 -0.02 -1.11 120.40 131.22 1qyr s VAL 110 Ca 0.10 0.84 -0.14 0.00 0.00 0.00 0.00 61.98 62.78 1qyr s VAL 110 Cb -0.23 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.43 1qyr s VAL 110 CO 0.08 0.50 0.46 0.72 0.00 0.00 0.00 175.10 176.86 1qyr s PHE 111 N -1.17 0.16 0.00 5.22 -0.12 -0.13 -1.36 117.98 120.58 1qyr s PHE 111 Ca 0.27 -0.52 0.00 0.00 -0.05 0.00 0.00 56.93 56.63 1qyr s PHE 111 Cb -0.17 0.23 0.00 0.00 -0.63 0.00 0.00 43.02 42.46 1qyr s PHE 111 CO 0.15 -0.91 0.00 0.41 -0.05 0.00 0.00 175.22 174.83 1qyr n GLY 112 N -0.33 2.57 3.43 1.99 0.00 -0.66 0.06 105.19 112.25 1qyr n GLY 112 Ca -0.06 -1.25 -0.44 0.00 0.00 0.00 0.00 46.02 44.27 1qyr n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qyr s ASN 113 N 0.00 6.20 -0.11 1.61 2.47 -1.24 -1.32 114.94 122.54 1qyr s ASN 113 Ca 0.00 -1.08 -0.23 0.00 0.42 0.00 0.00 52.86 51.97 1qyr s ASN 113 Cb 0.00 -2.35 -0.03 0.00 -1.45 0.00 0.00 41.25 37.42 1qyr s ASN 113 CO 0.00 -1.20 0.71 -0.76 -3.72 0.00 0.00 177.10 172.13 1qyr s LEU 114 N 3.29 4.26 0.26 3.21 1.43 -0.85 -4.77 118.68 125.50 1qyr s LEU 114 Ca 0.18 1.12 -0.31 0.00 -1.03 0.00 0.00 54.13 54.09 1qyr s LEU 114 Cb -0.20 -3.08 -0.13 0.00 0.03 0.00 0.00 46.19 42.82 1qyr s LEU 114 CO 0.10 -0.20 1.45 -2.65 0.23 0.00 0.00 176.35 175.28 1qyr n PRO 115 N 4.31 2.22 -0.36 1.29 -0.02 -1.26 -4.76 135.00 136.43 1qyr n PRO 115 Ca -0.00 0.79 0.27 0.00 -2.02 0.00 0.00 63.50 62.54 1qyr n PRO 115 Cb 0.50 -2.48 0.53 0.00 -0.02 0.00 0.00 33.50 32.03 1qyr n PRO 115 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 1qyr h TYR 116 N 4.29 0.77 -0.08 6.00 -0.00 -1.95 -2.08 116.97 123.91 1qyr h TYR 116 Ca -0.46 0.03 -0.16 0.00 -0.00 0.00 0.00 58.73 58.14 1qyr h TYR 116 Cb 1.26 -0.20 -0.01 0.00 -0.00 0.00 0.00 36.73 37.78 1qyr h TYR 116 CO 0.57 -0.13 -0.65 -2.95 -0.00 0.00 0.00 178.16 174.99 1qyr h ASN 117 N 0.28 0.38 0.06 0.10 7.08 -2.05 -3.32 115.58 118.10 1qyr h ASN 117 Ca 0.73 -0.23 0.00 0.00 -3.08 0.00 0.00 56.30 53.72 1qyr h ASN 117 Cb 1.87 -0.11 0.00 0.00 -2.08 0.00 0.00 38.32 38.00 1qyr h ASN 117 CO -0.49 0.93 -1.13 2.30 -2.08 0.00 0.00 177.43 176.96 1qyr n ILE 118 N -3.86 0.01 -0.22 6.14 -6.64 -0.82 -4.65 119.36 109.32 1qyr n ILE 118 Ca -0.03 -0.09 -0.11 0.00 -1.77 0.00 0.00 62.75 60.75 1qyr n ILE 118 Cb 0.66 0.75 -0.09 0.00 -1.44 0.00 0.00 39.64 39.52 1qyr n ILE 118 CO 0.00 0.00 0.00 0.28 -1.77 0.00 0.00 176.55 175.06 1qyr h SER 119 N 0.00 -1.71 0.28 7.28 0.02 -1.56 0.70 113.55 118.55 1qyr h SER 119 Ca 0.00 0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 1qyr h SER 119 Cb 0.59 0.73 0.00 0.00 0.14 0.00 0.00 62.40 63.86 1qyr h SER 119 CO 0.00 -0.29 -0.13 0.74 -1.14 0.00 0.00 176.83 176.01 1qyr h THR 120 N -0.20 0.77 0.00 -2.27 2.02 -1.83 -2.34 112.91 109.05 1qyr h THR 120 Ca 0.09 -0.43 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 1qyr h THR 120 Cb 0.45 1.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1qyr h THR 120 CO -0.63 0.09 -0.10 -0.65 0.37 0.00 0.00 175.52 174.60 1qyr h PRO 121 N -0.60 0.00 -0.35 6.66 0.11 -1.84 -2.56 132.00 133.41 1qyr h PRO 121 Ca -0.04 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.92 1qyr h PRO 121 Cb 0.43 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 1qyr h PRO 121 CO 0.06 0.10 -0.38 1.25 -0.21 0.00 0.00 178.00 178.82 1qyr h LEU 122 N 0.00 0.90 0.40 2.35 5.85 -0.64 -1.89 115.31 122.27 1qyr h LEU 122 Ca -0.00 -0.41 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 1qyr h LEU 122 Cb 0.20 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1qyr h LEU 122 CO 0.01 1.17 -0.34 0.24 -0.34 0.00 0.00 178.44 179.19 1qyr h MET 123 N 0.69 -0.71 -0.79 1.25 2.86 -1.01 0.11 114.93 117.32 1qyr h MET 123 Ca 0.06 0.05 0.17 0.00 -2.06 0.00 0.00 59.70 57.91 1qyr h MET 123 Cb 0.96 0.16 -0.11 0.00 0.06 0.00 0.00 31.60 32.67 1qyr h MET 123 CO 0.09 -0.48 0.29 0.74 1.06 0.00 0.00 176.91 178.62 1qyr h PHE 124 N -0.74 0.49 0.12 -0.22 0.04 -1.52 0.71 116.94 115.82 1qyr h PHE 124 Ca -0.03 0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 1qyr h PHE 124 Cb 0.65 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.70 1qyr h PHE 124 CO -0.17 0.00 -0.06 1.25 -0.60 0.00 0.00 178.31 178.74 1qyr h HIS 125 N 0.39 -0.15 -0.31 -0.55 2.76 -0.97 -2.06 115.15 114.25 1qyr h HIS 125 Ca 0.45 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.63 1qyr h HIS 125 Cb 0.76 0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.75 1qyr h HIS 125 CO -0.18 -0.00 0.19 -0.07 -1.30 0.00 0.00 177.93 176.57 1qyr h LEU 126 N -0.27 0.32 -0.82 0.26 3.38 0.38 -2.60 115.31 115.97 1qyr h LEU 126 Ca -0.02 -0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.15 1qyr h LEU 126 Cb 0.22 -0.07 -0.13 0.00 0.09 0.00 0.00 40.66 40.77 1qyr h LEU 126 CO 0.03 0.23 0.17 -0.26 0.09 0.00 0.00 178.44 178.70 1qyr h PHE 127 N 0.39 0.24 -0.04 1.13 0.05 0.54 -1.36 116.94 117.90 1qyr h PHE 127 Ca 0.12 0.05 0.01 0.00 3.82 0.00 0.00 57.97 61.97 1qyr h PHE 127 Cb -0.02 0.02 -0.00 0.00 2.00 0.00 0.00 35.95 37.95 1qyr h PHE 127 CO -0.07 -0.18 0.09 0.66 -0.18 0.00 0.00 178.31 178.63 1qyr h SER 128 N 0.20 0.00 -0.31 2.17 4.64 -0.96 0.81 113.55 120.11 1qyr h SER 128 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 1qyr h SER 128 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1qyr h SER 128 CO -0.62 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.12 1qyr n TYR 129 N -3.37 0.40 0.00 4.77 4.02 -0.51 -4.97 117.16 117.50 1qyr n TYR 129 Ca -0.02 -0.20 0.00 0.00 -0.01 0.00 0.00 57.90 57.67 1qyr n TYR 129 Cb 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.49 1qyr n TYR 129 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1qyr n THR 130 N 0.70 0.00 1.42 -0.72 -2.24 0.27 -1.30 114.28 112.41 1qyr n THR 130 Ca 0.16 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.06 1qyr n THR 130 Cb 0.39 0.00 0.69 0.00 -2.10 0.00 0.00 70.33 69.31 1qyr n THR 130 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1qyr n ASP 131 N 2.24 0.00 0.10 3.42 5.75 -1.26 -1.41 116.55 125.39 1qyr n ASP 131 Ca 0.00 -0.63 0.11 0.00 -0.01 0.00 0.00 54.79 54.26 1qyr n ASP 131 Cb 0.00 -0.05 0.45 0.00 -1.03 0.00 0.00 41.12 40.49 1qyr n ASP 131 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1qyr n ALA 132 N -1.05 1.63 -3.66 2.12 0.00 -0.42 -4.59 120.51 114.54 1qyr n ALA 132 Ca 0.17 0.06 -0.35 0.00 0.00 0.00 0.00 53.44 53.32 1qyr n ALA 132 Cb 0.10 -1.35 -0.14 0.00 0.00 0.00 0.00 19.45 18.06 1qyr n ALA 132 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1qyr s ILE 133 N -3.25 3.01 -0.03 0.00 -1.09 -0.50 -0.43 121.20 118.91 1qyr s ILE 133 Ca 0.05 -0.82 -0.23 0.00 -2.23 0.00 0.00 60.65 57.41 1qyr s ILE 133 Cb 0.09 -2.45 -0.22 0.00 -1.58 0.00 0.00 42.46 38.30 1qyr s ILE 133 CO 0.35 0.30 1.11 0.00 -1.23 0.00 0.00 174.94 175.47 1qyr h ALA 134 N 8.05 0.07 -2.46 9.38 0.00 -1.06 -3.42 119.26 129.82 1qyr h ALA 134 Ca -0.37 -0.44 0.16 0.00 0.00 0.00 0.00 54.91 54.26 1qyr h ALA 134 Cb 1.13 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 1qyr h ALA 134 CO 0.59 0.09 0.44 0.16 0.00 0.00 0.00 179.25 180.53 1qyr s ASP 135 N -6.28 -0.18 -0.01 0.00 3.84 -1.21 -4.32 116.67 108.51 1qyr s ASP 135 Ca -0.15 -0.45 0.00 0.00 -0.00 0.00 0.00 52.55 51.95 1qyr s ASP 135 Cb 0.02 0.53 0.02 0.00 -1.38 0.00 0.00 42.92 42.11 1qyr s ASP 135 CO 0.75 -0.99 0.01 -0.04 -0.00 0.00 0.00 175.17 174.90 1qyr s MET 136 N -3.37 0.09 -0.26 2.11 -1.94 0.46 -0.84 119.30 115.55 1qyr s MET 136 Ca 0.12 0.07 0.01 0.00 -1.71 0.00 0.00 55.69 54.19 1qyr s MET 136 Cb -0.02 -0.24 0.07 0.00 2.01 0.00 0.00 34.83 36.65 1qyr s MET 136 CO 0.03 -0.08 -0.03 -1.01 -0.01 0.00 0.00 175.02 173.92 1qyr s HIS 137 N 0.63 2.54 0.04 -0.03 3.76 -0.46 0.00 115.29 121.77 1qyr s HIS 137 Ca -0.06 -1.93 0.07 0.00 -0.15 0.00 0.00 55.06 52.99 1qyr s HIS 137 Cb -0.08 -1.77 -0.02 0.00 1.11 0.00 0.00 32.58 31.82 1qyr s HIS 137 CO -0.02 -0.81 -0.19 -0.06 -0.85 0.00 0.00 174.74 172.81 1qyr s PHE 138 N 1.34 1.70 -0.12 1.40 2.99 -0.68 -1.65 117.98 122.96 1qyr s PHE 138 Ca -0.03 -0.36 -0.23 0.00 0.00 0.00 0.00 56.93 56.31 1qyr s PHE 138 Cb -0.19 -1.02 -0.03 0.00 0.00 0.00 0.00 43.02 41.79 1qyr s PHE 138 CO -0.08 0.07 0.72 1.41 -0.00 0.00 0.00 175.22 177.33 1qyr s MET 139 N -1.08 4.35 0.08 0.44 -2.45 -0.44 -1.31 119.30 118.89 1qyr s MET 139 Ca 0.06 0.85 0.03 0.00 -1.25 0.00 0.00 55.69 55.39 1qyr s MET 139 Cb -0.08 -3.51 -0.03 0.00 1.25 0.00 0.00 34.83 32.46 1qyr s MET 139 CO 0.01 -0.10 -0.09 -0.51 1.05 0.00 0.00 175.02 175.39 1qyr s LEU 140 N 1.37 2.37 0.61 4.11 1.43 -0.20 -2.01 118.68 126.37 1qyr s LEU 140 Ca 0.36 -0.76 -0.16 0.00 -1.03 0.00 0.00 54.13 52.54 1qyr s LEU 140 Cb -0.17 -0.21 -0.02 0.00 0.03 0.00 0.00 46.19 45.82 1qyr s LEU 140 CO 0.15 -0.28 1.08 0.00 0.23 0.00 0.00 176.35 177.53 1qyr s GLN 141 N -2.57 3.13 0.31 1.70 0.00 -1.26 -0.50 119.66 120.47 1qyr s GLN 141 Ca 0.01 1.30 0.08 0.00 -0.00 0.00 0.00 55.36 56.75 1qyr s GLN 141 Cb -0.04 -2.00 0.52 0.00 0.00 0.00 0.00 33.01 31.50 1qyr s GLN 141 CO -0.01 -0.97 1.74 0.87 0.00 0.00 0.00 175.29 176.92 1qyr h LYS 142 N 0.34 0.21 0.00 9.60 1.79 -1.37 -1.60 116.57 125.54 1qyr h LYS 142 Ca -0.47 -0.09 -0.01 0.00 -2.18 0.00 0.00 60.65 57.90 1qyr h LYS 142 Cb 1.23 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.87 1qyr h LYS 142 CO 0.56 0.56 -0.04 1.05 -1.08 0.00 0.00 179.45 180.50 1qyr h GLU 143 N 0.18 0.00 0.14 3.15 4.11 -1.93 0.48 114.58 120.71 1qyr h GLU 143 Ca 0.02 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.13 1qyr h GLU 143 Cb 0.75 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 1qyr h GLU 143 CO 0.06 0.04 -1.64 0.28 0.07 0.00 0.00 179.01 177.82 1qyr h VAL 144 N 0.00 0.92 -0.56 -1.06 2.07 -1.69 -3.29 116.25 112.64 1qyr h VAL 144 Ca -0.00 -2.43 -0.06 0.00 0.82 0.00 0.00 66.70 65.03 1qyr h VAL 144 Cb 0.23 2.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.66 1qyr h VAL 144 CO 0.01 0.79 0.11 0.58 0.02 0.00 0.00 177.57 179.07 1qyr h VAL 145 N -0.10 1.24 -0.46 2.57 2.07 -1.10 -2.36 116.25 118.10 1qyr h VAL 145 Ca -0.34 -0.90 0.09 0.00 0.82 0.00 0.00 66.70 66.37 1qyr h VAL 145 Cb 1.93 0.69 -0.08 0.00 -1.52 0.00 0.00 31.29 32.31 1qyr h VAL 145 CO 0.10 0.33 -0.02 0.78 0.02 0.00 0.00 177.57 178.79 1qyr h ASN 146 N 0.85 -0.23 -0.79 0.57 2.35 -1.06 -2.73 115.58 114.54 1qyr h ASN 146 Ca 0.18 0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 56.01 1qyr h ASN 146 Cb 0.35 0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.89 1qyr h ASN 146 CO 0.00 -0.08 0.38 0.03 -1.65 0.00 0.00 177.43 176.12 1qyr h ARG 147 N 0.09 1.14 -0.44 0.81 3.08 -1.54 -2.31 114.38 115.21 1qyr h ARG 147 Ca 0.23 -0.17 -0.06 0.00 0.07 0.00 0.00 59.98 60.05 1qyr h ARG 147 Cb 0.34 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1qyr h ARG 147 CO -0.40 0.88 0.01 -0.07 -1.07 0.00 0.00 179.97 179.32 1qyr h LEU 148 N 1.12 0.68 -1.57 3.04 3.38 -1.14 -3.02 115.31 117.79 1qyr h LEU 148 Ca 0.27 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1qyr h LEU 148 Cb 0.11 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1qyr h LEU 148 CO -0.03 0.74 -0.13 1.33 0.09 0.00 0.00 178.44 180.44 1qyr n VAL 149 N -4.24 0.00 -1.95 1.22 0.24 -1.08 -4.69 118.33 107.83 1qyr n VAL 149 Ca 0.02 -0.44 -0.37 0.00 -2.04 0.00 0.00 64.34 61.51 1qyr n VAL 149 Cb 0.28 1.38 0.03 0.00 -1.47 0.00 0.00 33.84 34.06 1qyr n VAL 149 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qyr s ALA 150 N -1.92 2.78 0.42 2.33 0.00 -0.87 -5.04 121.76 119.45 1qyr s ALA 150 Ca 0.22 1.16 0.07 0.00 0.00 0.00 0.00 51.96 53.41 1qyr s ALA 150 Cb 0.17 -3.50 -0.07 0.00 0.00 0.00 0.00 23.12 19.72 1qyr s ALA 150 CO 0.34 -1.16 0.03 0.20 0.00 0.00 0.00 175.76 175.17 1qyr s GLY 151 N -1.21 2.53 0.24 0.00 0.00 -1.26 -4.86 107.32 102.75 1qyr s GLY 151 Ca 0.71 -2.17 -0.30 0.00 0.00 0.00 0.00 44.72 42.97 1qyr s GLY 151 CO 0.41 -2.09 1.01 -1.05 0.00 0.00 0.00 173.10 171.38 1qyr n PRO 152 N -1.01 1.14 -1.00 2.90 -0.02 -1.26 -1.82 135.00 133.92 1qyr n PRO 152 Ca -0.06 0.40 -0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1qyr n PRO 152 Cb 0.67 -1.77 -0.00 0.00 -0.02 0.00 0.00 33.50 32.37 1qyr n PRO 152 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1qyr n ASN 153 N 1.56 -3.72 -4.89 2.55 3.02 -0.66 -4.99 115.26 108.14 1qyr n ASN 153 Ca 0.12 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.35 1qyr n ASN 153 Cb 0.29 -1.23 -0.05 0.00 -0.61 0.00 0.00 39.78 38.18 1qyr n ASN 153 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1qyr s SER 154 N -2.03 6.55 0.51 6.41 0.15 -0.76 -5.00 113.70 119.53 1qyr s SER 154 Ca 0.00 0.68 0.27 0.00 0.70 0.00 0.00 55.95 57.61 1qyr s SER 154 Cb 0.00 -2.13 1.37 0.00 -1.71 0.00 0.00 66.02 63.55 1qyr s SER 154 CO 0.00 0.08 2.03 0.50 1.20 0.00 0.00 173.24 177.04 1qyr h LYS 155 N 3.07 0.00 -0.00 5.44 1.63 -1.96 -2.80 116.57 121.95 1qyr h LYS 155 Ca -0.47 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.33 1qyr h LYS 155 Cb 1.17 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 1qyr h LYS 155 CO 0.70 0.13 -0.24 0.00 -3.45 0.00 0.00 179.45 176.59 1qyr n ALA 156 N -2.26 2.93 -1.92 5.00 0.00 -1.26 -4.89 120.51 118.11 1qyr n ALA 156 Ca -0.01 -0.23 -0.42 0.00 0.00 0.00 0.00 53.44 52.78 1qyr n ALA 156 Cb 0.27 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.40 1qyr n ALA 156 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1qyr s TYR 157 N -2.97 1.79 0.00 0.00 5.04 -1.06 -4.36 117.35 115.79 1qyr s TYR 157 Ca 0.13 0.09 0.00 0.00 -2.44 0.00 0.00 57.07 54.85 1qyr s TYR 157 Cb 0.18 -4.00 0.00 0.00 0.35 0.00 0.00 41.96 38.49 1qyr s TYR 157 CO 0.61 -4.18 0.00 0.41 -1.34 0.00 0.00 175.55 171.05 1qyr n GLY 158 N 4.35 2.33 0.30 8.97 0.00 -1.26 -4.95 105.19 114.93 1qyr n GLY 158 Ca 0.19 -1.00 0.06 0.00 0.00 0.00 0.00 46.02 45.27 1qyr n GLY 158 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1qyr h ARG 159 N 0.00 0.56 -0.34 1.61 2.43 -1.91 -2.68 114.38 114.05 1qyr h ARG 159 Ca 0.00 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.16 1qyr h ARG 159 Cb 0.00 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 1qyr h ARG 159 CO 0.00 0.37 0.18 1.25 -1.51 0.00 0.00 179.97 180.26 1qyr h LEU 160 N 0.58 0.28 -0.63 3.80 5.85 -1.92 -1.54 115.31 121.73 1qyr h LEU 160 Ca 0.44 0.01 0.12 0.00 0.84 0.00 0.00 57.88 59.29 1qyr h LEU 160 Cb 0.62 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.51 1qyr h LEU 160 CO -0.36 0.21 0.14 0.28 -0.34 0.00 0.00 178.44 178.37 1qyr h SER 161 N 0.37 0.02 0.01 1.25 0.02 -1.37 0.12 113.55 113.97 1qyr h SER 161 Ca 0.14 0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1qyr h SER 161 Cb 0.03 0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1qyr h SER 161 CO -0.08 0.01 -0.00 0.58 -1.14 0.00 0.00 176.83 176.19 1qyr h VAL 162 N 0.27 1.52 -0.36 2.27 2.07 -1.21 -1.48 116.25 119.33 1qyr h VAL 162 Ca 0.34 -1.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.18 1qyr h VAL 162 Cb 0.51 2.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.91 1qyr h VAL 162 CO -0.42 0.43 0.22 0.24 0.02 0.00 0.00 177.57 178.06 1qyr h MET 163 N -0.74 0.49 -0.81 1.57 2.07 -1.29 0.10 114.93 116.32 1qyr h MET 163 Ca -0.00 -0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.59 1qyr h MET 163 Cb 0.71 -0.10 -0.04 0.00 -1.87 0.00 0.00 31.60 30.30 1qyr h MET 163 CO 0.00 0.36 0.52 0.00 1.07 0.00 0.00 176.91 178.86 1qyr h ALA 164 N 1.10 1.03 0.00 6.32 0.00 -0.79 -1.34 119.26 125.59 1qyr h ALA 164 Ca 0.13 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 1qyr h ALA 164 Cb -0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1qyr h ALA 164 CO -0.03 0.47 -0.67 1.96 0.00 0.00 0.00 179.25 180.98 1qyr h GLN 165 N 1.11 0.00 -0.72 0.00 4.20 -1.06 0.28 115.11 118.91 1qyr h GLN 165 Ca 0.29 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.95 1qyr h GLN 165 Cb -0.09 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.66 1qyr h GLN 165 CO -0.06 0.67 0.24 -0.92 -0.67 0.00 0.00 178.83 178.09 1qyr h TYR 166 N 0.00 1.14 0.06 2.96 5.03 -0.32 -3.32 116.97 122.52 1qyr h TYR 166 Ca -0.01 -0.10 -0.34 0.00 2.58 0.00 0.00 58.73 60.86 1qyr h TYR 166 Cb 1.26 -0.33 -0.04 0.00 1.55 0.00 0.00 36.73 39.17 1qyr h TYR 166 CO 0.00 0.89 -1.94 0.66 -1.32 0.00 0.00 178.16 176.45 1qyr n TYR 167 N -4.26 1.00 -3.91 -3.82 0.53 -0.55 -4.70 117.16 101.46 1qyr n TYR 167 Ca 0.06 0.27 -0.10 0.00 -1.02 0.00 0.00 57.90 57.11 1qyr n TYR 167 Cb 0.22 -1.15 -0.09 0.00 -1.03 0.00 0.00 39.34 37.28 1qyr n TYR 167 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1qyr s ASN 169 N -2.07 7.05 -0.13 0.00 -0.87 0.25 -4.36 114.94 114.81 1qyr s ASN 169 Ca -0.06 2.24 0.02 0.00 -1.57 0.00 0.00 52.86 53.49 1qyr s ASN 169 Cb -0.02 -2.60 -0.00 0.00 -0.02 0.00 0.00 41.25 38.61 1qyr s ASN 169 CO -0.04 -0.41 -0.18 -0.69 -2.57 0.00 0.00 177.10 173.20 1qyr s VAL 170 N 0.11 2.48 -0.25 1.60 1.01 -1.26 -1.19 120.40 122.90 1qyr s VAL 170 Ca 0.54 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 1qyr s VAL 170 Cb -0.33 -2.01 0.08 0.00 0.00 0.00 0.00 36.38 34.12 1qyr s VAL 170 CO 0.36 0.54 0.04 -0.63 0.00 0.00 0.00 175.10 175.41 1qyr s ILE 171 N 0.56 0.88 -0.01 2.22 1.01 0.64 -5.00 121.20 121.50 1qyr s ILE 171 Ca -0.11 -1.03 -0.30 0.00 0.00 0.00 0.00 60.65 59.21 1qyr s ILE 171 Cb -0.16 -1.45 -0.06 0.00 0.01 0.00 0.00 42.46 40.80 1qyr s ILE 171 CO 0.04 -0.37 1.62 -2.84 0.00 0.00 0.00 174.94 173.38 1qyr s PRO 172 N 1.66 4.20 -0.17 2.79 0.02 -1.26 0.30 135.00 142.55 1qyr s PRO 172 Ca 0.02 2.20 -0.14 0.00 0.02 0.00 0.00 61.00 63.11 1qyr s PRO 172 Cb -0.18 -3.80 -0.06 0.00 0.02 0.00 0.00 34.50 30.48 1qyr s PRO 172 CO -0.14 -0.77 -0.21 0.28 -0.33 0.00 0.00 177.00 175.83 1qyr n VAL 173 N 5.11 1.47 -4.12 3.83 0.31 0.12 -4.91 118.33 120.13 1qyr n VAL 173 Ca 0.16 0.12 -0.16 0.00 -0.01 0.00 0.00 64.34 64.45 1qyr n VAL 173 Cb 0.42 -2.30 -0.15 0.00 -0.91 0.00 0.00 33.84 30.90 1qyr n VAL 173 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1qyr s LEU 174 N -8.03 1.91 0.06 7.52 2.96 -0.95 -4.97 118.68 117.18 1qyr s LEU 174 Ca -0.23 -0.08 -0.25 0.00 -0.22 0.00 0.00 54.13 53.35 1qyr s LEU 174 Cb 0.04 -0.25 -0.06 0.00 0.50 0.00 0.00 46.19 46.42 1qyr s LEU 174 CO 0.35 0.04 0.77 -1.61 -1.32 0.00 0.00 176.35 174.58 1qyr s GLU 175 N 0.02 4.51 -0.12 1.98 2.02 -1.26 -0.25 118.70 125.60 1qyr s GLU 175 Ca 0.00 1.09 0.00 0.00 0.02 0.00 0.00 54.97 56.09 1qyr s GLU 175 Cb -0.03 -3.35 0.02 0.00 0.10 0.00 0.00 34.13 30.87 1qyr s GLU 175 CO -0.00 0.32 -0.12 0.08 0.02 0.00 0.00 175.26 175.56 1qyr s VAL 176 N -0.20 1.32 0.45 2.63 1.01 0.87 -4.94 120.40 121.55 1qyr s VAL 176 Ca 0.38 -0.49 -0.19 0.00 0.00 0.00 0.00 61.98 61.68 1qyr s VAL 176 Cb -0.21 -1.27 -0.10 0.00 0.00 0.00 0.00 36.38 34.80 1qyr s VAL 176 CO 0.24 0.41 0.96 -2.16 0.00 0.00 0.00 175.10 174.55 1qyr s PRO 177 N 1.44 4.14 0.37 2.72 0.04 -1.26 -1.56 135.00 140.88 1qyr s PRO 177 Ca 0.02 1.06 0.18 0.00 0.04 0.00 0.00 61.00 62.29 1qyr s PRO 177 Cb -0.13 -2.17 1.13 0.00 0.04 0.00 0.00 34.50 33.36 1qyr s PRO 177 CO -0.07 -0.10 1.69 -1.35 0.04 0.00 0.00 177.00 177.21 1qyr h PRO 178 N 1.61 0.32 0.00 0.56 0.11 -1.87 -0.84 132.00 131.90 1qyr h PRO 178 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1qyr h PRO 178 Cb 1.18 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1qyr h PRO 178 CO 0.61 0.21 0.00 -1.13 -0.21 0.00 0.00 178.00 177.49 1qyr n SER 179 N -4.86 0.33 0.00 -2.05 3.41 -1.26 -1.40 113.62 107.79 1qyr n SER 179 Ca 0.31 0.64 0.12 0.00 -0.26 0.00 0.00 58.87 59.68 1qyr n SER 179 Cb 1.01 -0.69 0.55 0.00 -0.26 0.00 0.00 64.21 64.82 1qyr n SER 179 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qyr n ALA 180 N -1.66 2.15 -2.43 7.33 0.00 -0.32 -4.84 120.51 120.74 1qyr n ALA 180 Ca -0.00 -0.09 -0.27 0.00 0.00 0.00 0.00 53.44 53.08 1qyr n ALA 180 Cb 0.04 -1.39 -0.11 0.00 0.00 0.00 0.00 19.45 17.98 1qyr n ALA 180 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1qyr s PHE 181 N -2.87 2.31 -0.16 0.00 0.08 -0.49 0.58 117.98 117.43 1qyr s PHE 181 Ca 0.15 -0.35 0.00 0.00 0.12 0.00 0.00 56.93 56.85 1qyr s PHE 181 Cb 0.16 -1.13 0.03 0.00 -0.57 0.00 0.00 43.02 41.51 1qyr s PHE 181 CO 0.42 0.53 -0.14 0.99 -0.10 0.00 0.00 175.22 176.92 1qyr s THR 182 N -1.78 1.58 0.86 0.64 2.01 0.15 -2.56 115.64 116.54 1qyr s THR 182 Ca 0.22 -0.69 -0.12 0.00 0.31 0.00 0.00 61.69 61.42 1qyr s THR 182 Cb -0.08 -1.51 0.10 0.00 0.01 0.00 0.00 72.50 71.03 1qyr s THR 182 CO 0.11 0.42 1.11 -2.16 -0.69 0.00 0.00 174.62 173.40 1qyr s PRO 183 N 1.47 1.60 0.21 4.92 0.04 -1.26 -0.17 135.00 141.81 1qyr s PRO 183 Ca 0.04 0.57 -0.30 0.00 0.04 0.00 0.00 61.00 61.36 1qyr s PRO 183 Cb -0.13 -1.87 -0.08 0.00 0.04 0.00 0.00 34.50 32.46 1qyr s PRO 183 CO -0.10 -1.94 1.14 -1.25 0.04 0.00 0.00 177.00 174.88 1qyr s PRO 184 N -5.14 4.56 1.05 0.56 0.04 -1.06 -4.61 135.00 130.41 1qyr s PRO 184 Ca 0.62 1.82 -0.12 0.00 0.04 0.00 0.00 61.00 63.35 1qyr s PRO 184 Cb -0.15 -3.23 0.22 0.00 0.04 0.00 0.00 34.50 31.37 1qyr s PRO 184 CO 0.55 0.05 1.07 -2.14 0.04 0.00 0.00 177.00 176.56 1qyr s PRO 185 N -0.67 -0.00 0.00 0.56 0.02 -1.26 -4.97 135.00 128.68 1qyr s PRO 185 Ca 0.49 0.64 0.27 0.00 0.02 0.00 0.00 61.00 62.42 1qyr s PRO 185 Cb -0.32 -1.68 0.83 0.00 0.02 0.00 0.00 34.50 33.36 1qyr s PRO 185 CO 0.38 -3.05 1.61 1.63 -0.33 0.00 0.00 177.00 177.24 1qyr n LYS 186 N -4.42 0.79 -4.34 5.54 4.76 -1.26 -4.78 118.16 114.45 1qyr n LYS 186 Ca 0.05 -0.43 -0.18 0.00 -2.87 0.00 0.00 58.31 54.87 1qyr n LYS 186 Cb 0.56 -1.49 -0.10 0.00 -1.84 0.00 0.00 35.03 32.16 1qyr n LYS 186 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1qyr s VAL 187 N -2.51 1.60 0.63 -0.18 -7.23 -1.26 -5.11 120.40 106.33 1qyr s VAL 187 Ca 0.25 -2.17 -0.16 0.00 -1.81 0.00 0.00 61.98 58.09 1qyr s VAL 187 Cb 0.19 -2.06 -0.02 0.00 0.56 0.00 0.00 36.38 35.06 1qyr s VAL 187 CO 0.52 -0.59 1.10 -1.81 -0.31 0.00 0.00 175.10 174.02 1qyr s ASP 188 N -3.30 5.32 0.26 4.85 1.01 -1.26 -4.45 116.67 119.09 1qyr s ASP 188 Ca 0.22 1.99 0.02 0.00 0.71 0.00 0.00 52.55 55.50 1qyr s ASP 188 Cb 0.01 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 41.33 1qyr s ASP 188 CO 0.06 -1.49 0.07 -0.44 0.21 0.00 0.00 175.17 173.59 1qyr s SER 189 N -2.49 1.42 -0.11 0.27 0.01 -0.60 -0.96 113.70 111.23 1qyr s SER 189 Ca 0.67 -1.35 -0.25 0.00 1.31 0.00 0.00 55.95 56.34 1qyr s SER 189 Cb -0.20 0.11 0.06 0.00 0.21 0.00 0.00 66.02 66.20 1qyr s SER 189 CO 0.38 -0.68 0.60 0.00 0.41 0.00 0.00 173.24 173.96 1qyr s ALA 190 N -3.65 -1.53 -0.16 1.44 0.00 0.34 -0.09 121.76 118.11 1qyr s ALA 190 Ca 0.35 1.34 -0.22 0.00 0.00 0.00 0.00 51.96 53.43 1qyr s ALA 190 Cb 0.08 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 1qyr s ALA 190 CO 0.13 -0.32 0.66 0.08 0.00 0.00 0.00 175.76 176.30 1qyr s VAL 191 N -0.64 5.02 -0.04 0.00 1.01 0.65 -1.03 120.40 125.37 1qyr s VAL 191 Ca -0.07 1.29 0.04 0.00 0.00 0.00 0.00 61.98 63.23 1qyr s VAL 191 Cb -0.02 -3.98 -0.00 0.00 0.00 0.00 0.00 36.38 32.37 1qyr s VAL 191 CO 0.06 0.14 -0.16 0.54 0.00 0.00 0.00 175.10 175.68 1qyr s VAL 192 N 1.63 1.34 -0.18 2.92 0.11 -0.43 0.11 120.40 125.90 1qyr s VAL 192 Ca 0.32 -0.66 -0.11 0.00 -2.93 0.00 0.00 61.98 58.59 1qyr s VAL 192 Cb -0.16 -1.16 -0.05 0.00 -1.53 0.00 0.00 36.38 33.48 1qyr s VAL 192 CO 0.12 0.39 0.18 -0.60 -3.33 0.00 0.00 175.10 171.86 1qyr s ARG 193 N 0.09 4.14 -0.08 1.54 3.52 0.15 -1.68 118.95 126.63 1qyr s ARG 193 Ca -0.04 -0.12 0.05 0.00 -0.13 0.00 0.00 55.73 55.48 1qyr s ARG 193 Cb -0.11 -3.40 -0.01 0.00 -1.56 0.00 0.00 34.95 29.87 1qyr s ARG 193 CO 0.02 0.33 -0.24 -0.51 -0.81 0.00 0.00 175.30 174.09 1qyr s LEU 194 N 0.25 2.11 -0.22 -0.88 1.02 0.10 -0.26 118.68 120.80 1qyr s LEU 194 Ca 0.11 -0.52 -0.02 0.00 0.02 0.00 0.00 54.13 53.72 1qyr s LEU 194 Cb -0.12 -1.40 0.07 0.00 0.02 0.00 0.00 46.19 44.76 1qyr s LEU 194 CO 0.00 0.21 0.02 -0.69 0.02 0.00 0.00 176.35 175.91 1qyr s VAL 195 N 0.05 0.84 0.21 -1.59 1.01 -0.33 -0.40 120.40 120.19 1qyr s VAL 195 Ca -0.10 -0.85 -0.32 0.00 0.00 0.00 0.00 61.98 60.71 1qyr s VAL 195 Cb -0.15 -1.33 -0.14 0.00 0.00 0.00 0.00 36.38 34.76 1qyr s VAL 195 CO 0.06 -0.25 1.45 -2.65 0.00 0.00 0.00 175.10 173.71 1qyr n PRO 196 N 4.92 2.04 -1.64 2.72 -0.02 -1.26 -0.58 135.00 141.17 1qyr n PRO 196 Ca -0.09 0.73 -0.45 0.00 -2.02 0.00 0.00 63.50 61.67 1qyr n PRO 196 Cb 0.46 -2.41 -0.02 0.00 -0.02 0.00 0.00 33.50 31.50 1qyr n PRO 196 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1qyr n HIS 197 N 2.30 1.85 -0.14 6.00 8.25 -0.71 -4.83 115.22 127.94 1qyr n HIS 197 Ca 0.13 0.56 -0.07 0.00 -0.26 0.00 0.00 57.72 58.08 1qyr n HIS 197 Cb 0.30 -2.37 0.01 0.00 1.12 0.00 0.00 29.99 29.05 1qyr n HIS 197 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1qyr h ALA 198 N 3.19 0.56 -3.99 -1.41 0.00 -1.93 -3.42 119.26 112.25 1qyr h ALA 198 Ca -0.44 -0.02 -0.41 0.00 0.00 0.00 0.00 54.91 54.04 1qyr h ALA 198 Cb 1.30 -0.16 -0.28 0.00 0.00 0.00 0.00 17.79 18.66 1qyr h ALA 198 CO 0.68 -0.02 -0.78 0.99 0.00 0.00 0.00 179.25 180.12 1qyr s THR 199 N -6.16 0.83 0.23 0.00 2.01 -1.26 -5.12 115.64 106.17 1qyr s THR 199 Ca -0.13 -0.54 -0.31 0.00 0.31 0.00 0.00 61.69 61.02 1qyr s THR 199 Cb 0.11 -0.71 -0.11 0.00 0.01 0.00 0.00 72.50 71.80 1qyr s THR 199 CO 0.73 0.17 1.58 -0.04 -0.69 0.00 0.00 174.62 176.36 1qyr s MET 200 N -0.42 4.18 0.38 4.92 -1.94 -1.26 -4.88 119.30 120.28 1qyr s MET 200 Ca 0.03 2.47 0.13 0.00 -1.71 0.00 0.00 55.69 56.61 1qyr s MET 200 Cb -0.05 -3.09 0.76 0.00 2.01 0.00 0.00 34.83 34.46 1qyr s MET 200 CO -0.00 -0.60 1.84 -1.00 -0.01 0.00 0.00 175.02 175.25 1qyr h PRO 201 N 5.75 0.00 -2.86 2.03 0.13 -1.91 -3.32 132.00 131.82 1qyr h PRO 201 Ca -0.45 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.07 1qyr h PRO 201 Cb 1.21 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.94 1qyr h PRO 201 CO 0.85 0.35 -0.75 -1.01 -0.23 0.00 0.00 178.00 177.21 1qyr s HIS 202 N -4.22 2.18 0.29 1.56 3.76 -1.26 -5.11 115.29 112.50 1qyr s HIS 202 Ca -0.03 -2.64 -0.29 0.00 -0.15 0.00 0.00 55.06 51.95 1qyr s HIS 202 Cb 0.14 -1.86 -0.13 0.00 1.11 0.00 0.00 32.58 31.84 1qyr s HIS 202 CO 0.72 -0.73 1.29 -2.30 -0.85 0.00 0.00 174.74 172.87 1qyr n PRO 203 N 2.96 1.96 -4.51 8.40 -0.02 -1.25 -5.00 135.00 137.54 1qyr n PRO 203 Ca 0.17 0.69 -0.26 0.00 -2.02 0.00 0.00 63.50 62.08 1qyr n PRO 203 Cb 0.38 -2.26 -0.17 0.00 -0.02 0.00 0.00 33.50 31.43 1qyr n PRO 203 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1qyr s VAL 204 N -0.70 1.25 0.16 -1.45 1.01 -1.26 -4.93 120.40 114.47 1qyr s VAL 204 Ca 0.61 -0.52 -0.13 0.00 0.00 0.00 0.00 61.98 61.93 1qyr s VAL 204 Cb -0.62 -1.15 0.05 0.00 0.00 0.00 0.00 36.38 34.65 1qyr s VAL 204 CO 0.57 0.39 1.72 0.50 0.00 0.00 0.00 175.10 178.28 1qyr h LYS 205 N 7.20 0.77 -3.01 2.72 1.63 -1.91 -3.40 116.57 120.57 1qyr h LYS 205 Ca -0.30 -0.13 -0.53 0.00 -0.85 0.00 0.00 60.65 58.84 1qyr h LYS 205 Cb 1.18 -0.13 -0.40 0.00 -0.60 0.00 0.00 32.23 32.28 1qyr h LYS 205 CO 0.47 0.66 -0.77 0.34 -3.45 0.00 0.00 179.45 176.70 1qyr s ASP 206 N -5.97 3.39 0.52 4.20 2.15 -1.26 -5.03 116.67 114.67 1qyr s ASP 206 Ca -0.13 -1.21 0.22 0.00 0.43 0.00 0.00 52.55 51.86 1qyr s ASP 206 Cb 0.12 -0.43 1.39 0.00 -0.30 0.00 0.00 42.92 43.69 1qyr s ASP 206 CO 0.77 -0.41 2.11 0.58 -0.17 0.00 0.00 175.17 178.06 1qyr h VAL 207 N 6.43 0.80 -0.94 1.11 2.07 -1.98 -1.18 116.25 122.57 1qyr h VAL 207 Ca -0.18 -0.32 0.20 0.00 0.82 0.00 0.00 66.70 67.22 1qyr h VAL 207 Cb 1.04 1.18 -0.08 0.00 -1.52 0.00 0.00 31.29 31.92 1qyr h VAL 207 CO 0.41 0.08 0.60 0.03 0.02 0.00 0.00 177.57 178.72 1qyr h ARG 208 N 0.00 0.51 -0.23 1.57 3.08 -1.98 0.25 114.38 117.58 1qyr h ARG 208 Ca -0.00 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 1qyr h ARG 208 Cb 0.18 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1qyr h ARG 208 CO 0.01 0.34 -0.07 0.28 -1.07 0.00 0.00 179.97 179.46 1qyr h VAL 209 N 0.53 1.29 -0.64 2.04 2.07 -1.57 -0.28 116.25 119.69 1qyr h VAL 209 Ca 0.50 -1.09 0.02 0.00 0.82 0.00 0.00 66.70 66.94 1qyr h VAL 209 Cb 1.07 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 32.33 1qyr h VAL 209 CO -0.23 0.34 0.41 0.25 0.02 0.00 0.00 177.57 178.35 1qyr h LEU 210 N 0.19 0.69 -0.55 2.57 5.85 -1.29 0.15 115.31 122.92 1qyr h LEU 210 Ca 0.06 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 1qyr h LEU 210 Cb 0.54 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1qyr h LEU 210 CO 0.03 0.49 0.10 -1.28 -0.34 0.00 0.00 178.44 177.44 1qyr h SER 211 N 0.83 0.87 -0.60 1.25 0.87 -0.87 -1.73 113.55 114.18 1qyr h SER 211 Ca 0.24 -0.26 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 1qyr h SER 211 Cb -0.05 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 61.65 1qyr h SER 211 CO -0.07 0.91 0.31 -0.09 -0.53 0.00 0.00 176.83 177.36 1qyr h ARG 212 N 0.80 0.84 0.08 2.24 2.43 -0.46 -1.47 114.38 118.85 1qyr h ARG 212 Ca 0.17 -0.11 -0.25 0.00 -0.81 0.00 0.00 59.98 58.98 1qyr h ARG 212 Cb 0.40 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1qyr h ARG 212 CO 0.01 0.66 -1.13 -0.84 -1.51 0.00 0.00 179.97 177.15 1qyr h ILE 213 N 0.81 1.47 -0.49 1.20 3.07 -0.79 -2.65 117.51 120.13 1qyr h ILE 213 Ca 0.21 -2.86 -0.04 0.00 1.55 0.00 0.00 64.86 63.71 1qyr h ILE 213 Cb 0.07 2.76 -0.02 0.00 -0.27 0.00 0.00 36.82 39.37 1qyr h ILE 213 CO -0.03 0.84 0.14 0.71 -1.05 0.00 0.00 178.15 178.76 1qyr h THR 214 N 0.12 1.23 -0.31 0.16 1.35 -1.34 0.12 112.91 114.25 1qyr h THR 214 Ca -0.11 -0.80 0.07 0.00 -0.55 0.00 0.00 66.41 65.02 1qyr h THR 214 Cb 1.83 0.82 -0.07 0.00 -1.73 0.00 0.00 68.15 68.99 1qyr h THR 214 CO 0.19 0.29 -0.19 0.74 -0.25 0.00 0.00 175.52 176.30 1qyr h THR 215 N 0.67 0.47 -0.19 6.82 2.02 -1.24 -1.74 112.91 119.72 1qyr h THR 215 Ca 0.16 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.21 1qyr h THR 215 Cb 0.30 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1qyr h THR 215 CO -0.00 0.00 -0.37 -0.33 0.37 0.00 0.00 175.52 175.18 1qyr h GLU 216 N -0.15 0.58 -0.69 6.66 5.08 -1.38 -2.61 114.58 122.07 1qyr h GLU 216 Ca 0.16 -0.38 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1qyr h GLU 216 Cb 0.40 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1qyr h GLU 216 CO -0.40 0.99 0.42 0.00 -1.00 0.00 0.00 179.01 179.02 1qyr h ALA 217 N 0.59 0.88 -0.00 3.43 0.00 -0.63 -2.83 119.26 120.70 1qyr h ALA 217 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1qyr h ALA 217 Cb 0.97 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1qyr h ALA 217 CO 0.08 0.36 -0.11 1.19 0.00 0.00 0.00 179.25 180.77 1qyr n PHE 218 N -4.55 0.00 0.21 0.00 3.01 -0.67 -3.08 117.46 112.38 1qyr n PHE 218 Ca 0.06 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.59 1qyr n PHE 218 Cb 0.06 -0.33 0.43 0.00 -0.01 0.00 0.00 39.48 39.63 1qyr n PHE 218 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 1qyr h ASN 219 N 0.16 0.00 -2.16 4.37 2.35 -1.20 -3.28 115.58 115.82 1qyr h ASN 219 Ca 0.00 0.00 -0.59 0.00 -0.55 0.00 0.00 56.30 55.16 1qyr h ASN 219 Cb 0.41 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 38.37 1qyr h ASN 219 CO 0.00 0.30 -0.72 0.00 -1.65 0.00 0.00 177.43 175.37 1qyr n GLN 220 N -3.57 2.24 -0.35 0.81 1.13 -1.18 -4.97 117.38 111.49 1qyr n GLN 220 Ca -0.01 -4.39 0.18 0.00 -1.94 0.00 0.00 57.00 50.84 1qyr n GLN 220 Cb 0.44 -2.04 0.39 0.00 0.11 0.00 0.00 30.24 29.13 1qyr n GLN 220 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1qyr h ARG 221 N 3.92 0.56 0.00 -1.09 2.43 -1.66 -1.12 114.38 117.42 1qyr h ARG 221 Ca 0.16 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 1qyr h ARG 221 Cb 0.69 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1qyr h ARG 221 CO 0.75 0.37 -0.68 0.00 -1.51 0.00 0.00 179.97 178.91 1qyr h ARG 222 N 0.58 0.00 -6.27 0.20 3.08 -1.93 -3.33 114.38 106.71 1qyr h ARG 222 Ca 0.65 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 60.15 1qyr h ARG 222 Cb 1.23 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.25 1qyr h ARG 222 CO -0.47 0.04 0.22 -1.59 -1.07 0.00 0.00 179.97 177.10 1qyr s LYS 223 N -3.26 4.52 0.79 0.04 0.00 -0.43 -4.86 119.74 116.54 1qyr s LYS 223 Ca 0.02 1.15 -0.15 0.00 0.00 0.00 0.00 55.97 56.99 1qyr s LYS 223 Cb 0.08 -3.42 0.02 0.00 0.00 0.00 0.00 37.83 34.51 1qyr s LYS 223 CO 0.75 0.11 0.75 0.25 0.00 0.00 0.00 175.35 177.21 1qyr n THR 224 N 3.44 1.63 -0.10 3.79 -2.24 -1.26 -3.76 114.28 115.78 1qyr n THR 224 Ca 0.01 -0.30 0.06 0.00 -2.27 0.00 0.00 64.05 61.55 1qyr n THR 224 Cb 0.51 -0.89 0.39 0.00 -2.10 0.00 0.00 70.33 68.24 1qyr n THR 224 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1qyr h ILE 225 N -0.75 1.05 -0.18 2.28 1.08 -1.64 0.33 117.51 119.68 1qyr h ILE 225 Ca -0.46 -0.22 0.05 0.00 -0.39 0.00 0.00 64.86 63.84 1qyr h ILE 225 Cb 1.32 0.35 -0.05 0.00 -3.07 0.00 0.00 36.82 35.37 1qyr h ILE 225 CO 0.42 0.12 -0.13 0.03 -0.69 0.00 0.00 178.15 177.90 1qyr h ARG 226 N 0.65 -0.14 -0.25 2.37 -0.00 -1.83 0.88 114.38 116.07 1qyr h ARG 226 Ca 0.24 0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.73 1qyr h ARG 226 Cb 0.14 0.03 0.00 0.00 0.00 0.00 0.00 29.97 30.14 1qyr h ARG 226 CO -0.07 -0.09 0.00 0.27 0.00 0.00 0.00 179.97 180.08 1qyr n ASN 227 N -5.29 3.06 -0.10 7.04 0.23 -1.08 -1.80 115.26 117.33 1qyr n ASN 227 Ca -0.02 -1.95 -0.22 0.00 -0.53 0.00 0.00 54.58 51.86 1qyr n ASN 227 Cb 0.20 -0.15 -0.12 0.00 -2.08 0.00 0.00 39.78 37.64 1qyr n ASN 227 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1qyr n SER 228 N 1.28 1.89 -0.96 0.53 2.88 0.11 -4.63 113.62 114.71 1qyr n SER 228 Ca 0.17 0.40 0.00 0.00 -1.33 0.00 0.00 58.87 58.11 1qyr n SER 228 Cb 0.57 -0.95 0.16 0.00 -0.75 0.00 0.00 64.21 63.23 1qyr n SER 228 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1qyr n LEU 229 N -4.34 3.00 0.27 2.46 4.77 0.30 -4.81 117.00 118.66 1qyr n LEU 229 Ca -0.33 -3.93 0.14 0.00 -0.03 0.00 0.00 56.01 51.85 1qyr n LEU 229 Cb 0.72 -0.44 0.78 0.00 -2.33 0.00 0.00 43.42 42.15 1qyr n LEU 229 CO 0.20 1.48 1.01 1.23 -1.33 0.00 0.00 177.39 179.98 1qyr h GLY 230 N 1.25 0.00 2.00 -0.72 0.00 -1.37 -0.02 103.07 104.21 1qyr h GLY 230 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1qyr h GLY 230 CO 0.15 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.85 1qyr n ASN 231 N -3.64 0.38 -0.05 0.19 6.94 -1.26 -3.91 115.26 113.90 1qyr n ASN 231 Ca -0.02 0.55 -0.07 0.00 -0.02 0.00 0.00 54.58 55.02 1qyr n ASN 231 Cb 0.21 -0.65 -0.06 0.00 -2.36 0.00 0.00 39.78 36.92 1qyr n ASN 231 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1qyr n LEU 232 N -1.88 2.49 -4.04 -4.53 4.77 -0.30 -5.02 117.00 108.49 1qyr n LEU 232 Ca 0.05 -0.05 -0.28 0.00 -0.03 0.00 0.00 56.01 55.70 1qyr n LEU 232 Cb 0.32 -0.30 -0.17 0.00 -2.33 0.00 0.00 43.42 40.95 1qyr n LEU 232 CO 0.24 0.61 -0.49 -0.36 -1.33 0.00 0.00 177.39 176.07 1qyr s PHE 233 N -2.23 1.93 0.68 -1.77 0.08 -0.17 -5.06 117.98 111.44 1qyr s PHE 233 Ca -0.14 -0.93 -0.11 0.00 0.12 0.00 0.00 56.93 55.88 1qyr s PHE 233 Cb 0.04 -1.41 -0.00 0.00 -0.57 0.00 0.00 43.02 41.08 1qyr s PHE 233 CO 0.28 -0.49 1.06 -1.54 -0.10 0.00 0.00 175.22 174.43 1qyr s SER 234 N 1.08 5.60 0.22 1.36 1.04 -1.26 -4.42 113.70 117.31 1qyr s SER 234 Ca -0.05 1.37 -0.09 0.00 0.48 0.00 0.00 55.95 57.66 1qyr s SER 234 Cb -0.15 -2.28 0.34 0.00 0.10 0.00 0.00 66.02 64.04 1qyr s SER 234 CO -0.03 -1.27 1.67 0.58 0.98 0.00 0.00 173.24 175.17 1qyr h VAL 235 N -0.60 0.51 -0.19 5.02 2.07 -1.96 -1.97 116.25 119.12 1qyr h VAL 235 Ca -0.45 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1qyr h VAL 235 Cb 1.22 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1qyr h VAL 235 CO 0.61 0.03 0.10 -0.33 0.02 0.00 0.00 177.57 178.00 1qyr h GLU 236 N 0.17 0.27 -0.12 1.57 3.07 -1.98 -0.43 114.58 117.13 1qyr h GLU 236 Ca 0.35 -0.04 0.02 0.00 -0.50 0.00 0.00 59.36 59.19 1qyr h GLU 236 Cb 0.57 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.41 1qyr h GLU 236 CO -0.51 0.29 -0.02 0.28 -1.40 0.00 0.00 179.01 177.65 1qyr h VAL 237 N 0.19 0.90 -0.61 3.13 2.07 -1.87 0.18 116.25 120.23 1qyr h VAL 237 Ca 0.07 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 1qyr h VAL 237 Cb 0.10 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1qyr h VAL 237 CO -0.01 0.00 0.32 -0.07 0.02 0.00 0.00 177.57 177.83 1qyr h LEU 238 N 0.02 0.77 -0.74 2.57 3.38 -1.22 -2.37 115.31 117.72 1qyr h LEU 238 Ca 0.06 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1qyr h LEU 238 Cb 0.08 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1qyr h LEU 238 CO -0.11 0.66 0.18 0.74 0.09 0.00 0.00 178.44 180.00 1qyr h THR 239 N 0.83 1.26 0.00 0.22 2.02 -0.76 -0.82 112.91 115.67 1qyr h THR 239 Ca 0.21 -0.97 -0.02 0.00 0.77 0.00 0.00 66.41 66.41 1qyr h THR 239 Cb 0.07 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1qyr h THR 239 CO -0.03 0.37 -0.08 1.23 0.37 0.00 0.00 175.52 177.38 1qyr h GLY 240 N 1.09 0.00 0.14 2.16 0.00 -0.73 -2.14 103.07 103.59 1qyr h GLY 240 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1qyr h GLY 240 CO 0.00 0.00 -0.32 1.03 0.00 0.00 0.00 176.54 177.25 1qyr n MET 241 N -3.69 0.80 -0.88 4.80 2.00 -0.75 -4.92 117.12 114.47 1qyr n MET 241 Ca -0.02 -0.51 0.00 0.00 0.00 0.00 0.00 57.70 57.17 1qyr n MET 241 Cb 0.19 -1.49 0.00 0.00 0.00 0.00 0.00 33.22 31.92 1qyr n MET 241 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1qyr n GLY 242 N 1.37 0.66 3.66 3.03 0.00 -0.81 -5.06 105.19 108.04 1qyr n GLY 242 Ca 0.11 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 45.07 1qyr n GLY 242 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qyr s ILE 243 N -2.00 4.94 -0.20 -0.61 1.01 -0.39 -5.02 121.20 118.93 1qyr s ILE 243 Ca 0.00 0.02 -0.29 0.00 0.00 0.00 0.00 60.65 60.38 1qyr s ILE 243 Cb 0.00 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 1qyr s ILE 243 CO 0.00 0.46 1.86 -0.62 0.00 0.00 0.00 174.94 176.64 1qyr s ASP 244 N 0.36 6.07 0.52 3.58 -1.08 -1.26 -3.71 116.67 121.15 1qyr s ASP 244 Ca 0.04 1.81 0.27 0.00 -0.52 0.00 0.00 52.55 54.15 1qyr s ASP 244 Cb -0.12 -2.53 1.41 0.00 -1.46 0.00 0.00 42.92 40.22 1qyr s ASP 244 CO -0.00 -1.48 2.05 1.55 0.52 0.00 0.00 175.17 177.80 1qyr h PRO 245 N 12.18 0.00 0.00 4.34 0.13 -1.91 -1.89 132.00 144.85 1qyr h PRO 245 Ca -0.38 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.66 1qyr h PRO 245 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1qyr h PRO 245 CO 0.99 0.13 -0.41 0.00 -0.23 0.00 0.00 178.00 178.47 1qyr h ALA 246 N 1.87 0.94 -2.14 -0.56 0.00 -1.99 -3.23 119.26 114.15 1qyr h ALA 246 Ca -0.00 -0.37 -0.60 0.00 0.00 0.00 0.00 54.91 53.94 1qyr h ALA 246 Cb 0.38 -0.07 0.11 0.00 0.00 0.00 0.00 17.79 18.21 1qyr h ALA 246 CO 0.02 0.51 0.28 -0.12 0.00 0.00 0.00 179.25 179.94 1qyr n MET 247 N -3.50 1.60 -2.56 0.00 1.56 -0.71 -4.66 117.12 108.84 1qyr n MET 247 Ca 0.00 0.56 -0.32 0.00 -0.27 0.00 0.00 57.70 57.67 1qyr n MET 247 Cb 0.55 -2.02 -0.04 0.00 2.15 0.00 0.00 33.22 33.86 1qyr n MET 247 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 1qyr s ARG 248 N -1.50 3.94 0.34 2.12 0.52 -1.26 -2.36 118.95 120.76 1qyr s ARG 248 Ca 0.59 0.86 0.09 0.00 -0.52 0.00 0.00 55.73 56.76 1qyr s ARG 248 Cb -0.67 -2.21 0.84 0.00 0.52 0.00 0.00 34.95 33.44 1qyr s ARG 248 CO 0.59 -0.18 1.80 0.00 0.02 0.00 0.00 175.30 177.53 1qyr h ALA 249 N 1.14 1.84 0.00 2.13 0.00 -1.67 0.41 119.26 123.11 1qyr h ALA 249 Ca -0.47 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1qyr h ALA 249 Cb 1.18 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1qyr h ALA 249 CO 0.62 -0.18 -0.02 1.05 0.00 0.00 0.00 179.25 180.72 1qyr h GLU 250 N 0.66 0.00 0.00 0.00 4.11 -1.91 -2.92 114.58 114.52 1qyr h GLU 250 Ca 0.55 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.98 1qyr h GLU 250 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1qyr h GLU 250 CO -0.32 0.02 -0.67 -0.91 0.07 0.00 0.00 179.01 177.20 1qyr h ASN 251 N 0.00 0.00 -3.11 3.06 -0.26 -1.27 -1.76 115.58 112.23 1qyr h ASN 251 Ca -0.00 -0.05 -0.54 0.00 -0.56 0.00 0.00 56.30 55.15 1qyr h ASN 251 Cb 0.31 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.57 1qyr h ASN 251 CO 0.00 0.03 0.64 -0.63 -1.06 0.00 0.00 177.43 176.41 1qyr s ILE 252 N -3.27 3.96 0.91 2.81 1.09 -1.11 -4.84 121.20 120.76 1qyr s ILE 252 Ca 0.03 1.38 -0.11 0.00 -1.10 0.00 0.00 60.65 60.85 1qyr s ILE 252 Cb 0.10 -3.89 0.14 0.00 -1.06 0.00 0.00 42.46 37.75 1qyr s ILE 252 CO 0.74 0.07 1.09 -0.94 -0.10 0.00 0.00 174.94 175.80 1qyr s SER 253 N 1.26 3.24 0.16 3.58 1.04 -1.26 -4.80 113.70 116.92 1qyr s SER 253 Ca 0.59 1.66 -0.14 0.00 0.48 0.00 0.00 55.95 58.55 1qyr s SER 253 Cb -0.30 -2.31 0.04 0.00 0.10 0.00 0.00 66.02 63.56 1qyr s SER 253 CO 0.27 -2.81 1.76 0.58 0.98 0.00 0.00 173.24 174.02 1qyr h VAL 254 N -1.67 1.18 -0.80 5.02 2.07 -1.97 -1.26 116.25 118.83 1qyr h VAL 254 Ca -0.49 -0.48 0.15 0.00 0.82 0.00 0.00 66.70 66.70 1qyr h VAL 254 Cb 1.28 0.58 -0.10 0.00 -1.52 0.00 0.00 31.29 31.53 1qyr h VAL 254 CO 0.51 0.20 0.34 0.00 0.02 0.00 0.00 177.57 178.64 1qyr h ALA 255 N 1.10 1.16 -0.26 1.67 0.00 -1.99 -1.08 119.26 119.87 1qyr h ALA 255 Ca 0.18 0.12 -0.17 0.00 0.00 0.00 0.00 54.91 55.03 1qyr h ALA 255 Cb 0.08 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1qyr h ALA 255 CO -0.03 -0.20 -0.51 1.96 0.00 0.00 0.00 179.25 180.47 1qyr h GLN 256 N 0.47 0.80 -0.93 0.00 4.20 -1.81 0.13 115.11 117.97 1qyr h GLN 256 Ca 0.45 -0.52 0.04 0.00 0.06 0.00 0.00 58.65 58.68 1qyr h GLN 256 Cb 0.70 0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.48 1qyr h GLN 256 CO -0.42 1.14 0.61 1.88 -0.67 0.00 0.00 178.83 181.38 1qyr h TYR 257 N 0.56 1.12 -0.15 2.96 0.05 -0.87 0.11 116.97 120.75 1qyr h TYR 257 Ca 0.01 0.03 -0.19 0.00 0.05 0.00 0.00 58.73 58.63 1qyr h TYR 257 Cb 1.12 -0.37 0.00 0.00 1.01 0.00 0.00 36.73 38.48 1qyr h TYR 257 CO 0.08 0.63 -0.68 0.00 -1.05 0.00 0.00 178.16 177.14 1qyr h GLN 259 N 0.45 0.08 -0.39 0.00 3.07 -0.25 -0.56 115.11 117.51 1qyr h GLN 259 Ca -0.02 -0.05 -0.06 0.00 0.09 0.00 0.00 58.65 58.61 1qyr h GLN 259 Cb 1.27 0.01 -0.01 0.00 0.08 0.00 0.00 27.48 28.82 1qyr h GLN 259 CO 0.13 0.61 0.03 0.52 0.09 0.00 0.00 178.83 180.21 1qyr h MET 260 N 0.06 0.67 -0.24 0.06 2.86 -0.49 -0.45 114.93 117.41 1qyr h MET 260 Ca -0.00 -0.20 0.01 0.00 -2.06 0.00 0.00 59.70 57.45 1qyr h MET 260 Cb 1.00 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.57 1qyr h MET 260 CO 0.08 0.75 0.13 0.00 1.06 0.00 0.00 176.91 178.93 1qyr h ALA 261 N 0.89 0.29 -0.94 6.32 0.00 -0.60 -2.38 119.26 122.84 1qyr h ALA 261 Ca 0.11 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1qyr h ALA 261 Cb 0.43 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1qyr h ALA 261 CO 0.02 -0.26 0.57 -0.91 0.00 0.00 0.00 179.25 178.66 1qyr h ASN 262 N 0.28 1.13 -0.25 0.00 2.35 -1.06 -2.25 115.58 115.79 1qyr h ASN 262 Ca 0.09 -0.07 0.04 0.00 -0.55 0.00 0.00 56.30 55.82 1qyr h ASN 262 Cb 0.00 -0.29 -0.04 0.00 0.05 0.00 0.00 38.32 38.05 1qyr h ASN 262 CO -0.05 0.86 -0.00 0.22 -1.65 0.00 0.00 177.43 176.82 1qyr h TYR 263 N 1.30 -0.01 -0.28 1.19 5.03 -0.73 -0.47 116.97 123.00 1qyr h TYR 263 Ca 0.34 0.02 -0.07 0.00 2.58 0.00 0.00 58.73 61.60 1qyr h TYR 263 Cb -0.06 0.04 -0.02 0.00 1.55 0.00 0.00 36.73 38.25 1qyr h TYR 263 CO 0.01 -0.04 -0.11 1.25 -1.32 0.00 0.00 178.16 177.95 1qyr h LEU 264 N 0.08 0.44 -0.35 2.82 5.85 -1.17 -1.42 115.31 121.56 1qyr h LEU 264 Ca 0.12 -0.11 -0.18 0.00 0.84 0.00 0.00 57.88 58.55 1qyr h LEU 264 Cb 0.15 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1qyr h LEU 264 CO -0.20 0.59 -0.83 0.00 -0.34 0.00 0.00 178.44 177.66 1qyr h ALA 265 N 1.46 0.59 0.00 1.25 0.00 -0.99 -3.15 119.26 118.42 1qyr h ALA 265 Ca 0.08 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1qyr h ALA 265 Cb 0.46 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1qyr h ALA 265 CO 0.03 0.92 -0.12 0.93 0.00 0.00 0.00 179.25 181.00 1qyr h GLU 266 N 0.08 0.00 0.00 0.00 5.08 -0.49 -3.45 114.58 115.81 1qyr h GLU 266 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1qyr h GLU 266 Cb 1.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.70 1qyr h GLU 266 CO 0.12 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.22 1qyr n ASN 267 N -2.54 0.00 -0.25 1.42 3.02 -0.59 -5.10 115.26 111.23 1qyr n ASN 267 Ca 0.04 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.63 1qyr n ASN 267 Cb 0.47 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.67 1qyr n ASN 267 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64